86301-98-6
3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
Name3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
1Identification
【Name】
3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID
【CAS】
【MDL】
MFCD00193108
【English Synonyms】
【Formula】
C14 H16 F6 O2
【MolWeight】
330.266
【Inchi】
InChI=1S/C14H16F6O2/c15-9(14(18,19)20)13(16,17)12-4-7-1-8(5-12)3-11(2-7,6-12)10(21)22/h7-9H,1-6H2,(H,21,22)/t7-,8+,9?,11+,12-
【InChIKey】
InChIKey=GLJDZZQQPFAEPQ-TTYZZSPESA-N
【SMILES】
C1[C@@H]2C[C@@]3(C[C@H]1C[C@](C2)(C3)C(C(C(F)(F)F)F)(F)F)C(=O)O
【MOL File】
3-(1,1,2,3,3,3-HEXAF….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:1
H bond acceptor:2
XLogP3:5.0
Bulk/Fine:FB
3Material Safety Data Sheet(MSDS)
4CML File
3-(1,1,2,3,3,3-HEXAFLUOROPROPYL)ADAMANTANE-1-CARBOXYLIC ACID.cml