cyclooctyl-[4-(trifluoromethyl)phenyl]methanol

C16H21F3O — CID 80603410

IUPACcyclooctyl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCCCCCC1
InChIInChI=1S/C16H21F3O/c17-16(18,19)14-10-8-13(9-11-14)15(20)12-6-4-2-1-3-5-7-12/h8-12,15,20H,1-7H2
InChIKeyZIUIKDVPCBTCGU-UHFFFAOYSA-N
MW286.34 g/mol
LogP5.10
Rot. Bonds2

About cyclooctyl-[4-(trifluoromethyl)phenyl]methanol

cyclooctyl-[4-(trifluoromethyl)phenyl]methanol (PubChem CID 80603410) has the molecular formula C16H21F3O and a molecular weight of 286.34 g/mol. Its IUPAC name is cyclooctyl-[4-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Namecyclooctyl-[4-(trifluoromethyl)phenyl]methanol
PubChem CID80603410
Molecular FormulaC16H21F3O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC Namecyclooctyl-[4-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc(C(F)(F)F)cc1)C1CCCCCCC1
InChIInChI=1S/C16H21F3O/c17-16(18,19)14-10-8-13(9-11-14)15(20)12-6-4-2-1-3-5-7-12/h8-12,15,20H,1-7H2
InChIKeyZIUIKDVPCBTCGU-UHFFFAOYSA-N
XLogP5.10
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

cyclobutyl-[4-(trifluoromethyl)phenyl]methanol
CID 64986363
(1S,2R)-2-amino-1-cyclohexyl-2-[4-(trifluoromethyl)phenyl]ethanol
CID 171160385
cyclohexyl-[4-(difluoromethyl)phenyl]methanol
CID 115524882
(1S)-2-cyclohexyl-1-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67344023
(S)-cyclohexyl(pyridin-4-yl)methanol
CID 166771545
(R)-cycloheptyl(phenyl)methanol
CID 94502427
cyclopentyl-[3-fluoro-5-(trifluoromethyl)phenyl]methanol
CID 115351164
cyclobutyl-[3-(trifluoromethyl)phenyl]methanol
CID 64986539
(R)-cyclopentyl-[4-[4-(trifluoromethyl)phenyl]phenyl]methanamine;hydrochloride
CID 171211545
(2S)-2-cyclohexyl-2-[4-[4-(trifluoromethyl)phenyl]phenyl]ethanol
CID 67484387
(R)-cyclopentyl(phenyl)methanol
CID 38988779
(S)-cyclopentyl(phenyl)methanol
CID 36691435

Frequently Asked Questions

What is the IUPAC name of cyclooctyl-[4-(trifluoromethyl)phenyl]methanol?
The IUPAC name of cyclooctyl-[4-(trifluoromethyl)phenyl]methanol (CID 80603410) is cyclooctyl-[4-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for cyclooctyl-[4-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for cyclooctyl-[4-(trifluoromethyl)phenyl]methanol is OC(c1ccc(C(F)(F)F)cc1)C1CCCCCCC1.
What is the InChIKey of cyclooctyl-[4-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZIUIKDVPCBTCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21F3O/c17-16(18,19)14-10-8-13(9-11-14)15(20)12-6-4-2-1-3-5-7-12/h8-12,15,20H,1-7H2.
What are the key properties of cyclooctyl-[4-(trifluoromethyl)phenyl]methanol?
cyclooctyl-[4-(trifluoromethyl)phenyl]methanol has a molecular weight of 286.34 g/mol, XLogP of 5.10, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for cyclooctyl-[4-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 80603410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).