[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol

C15H18F4O — CID 107292057

IUPAC[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCCCC1
InChIInChI=1S/C15H18F4O/c1-14(7-3-2-4-8-14)13(20)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9,13,20H,2-4,7-8H2,1H3
InChIKeyHUTMEAMTKVADRJ-UHFFFAOYSA-N
MW290.30 g/mol
LogP4.85
Rot. Bonds2

About [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol

[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol (PubChem CID 107292057) has the molecular formula C15H18F4O and a molecular weight of 290.30 g/mol. Its IUPAC name is [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol.

Molecular Properties

Compound Name[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
PubChem CID107292057
Molecular FormulaC15H18F4O
Molecular Weight290.30 g/mol
Exact Mass290.13
IUPAC Name[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol
SMILESCC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCCCC1
InChIInChI=1S/C15H18F4O/c1-14(7-3-2-4-8-14)13(20)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9,13,20H,2-4,7-8H2,1H3
InChIKeyHUTMEAMTKVADRJ-UHFFFAOYSA-N
XLogP4.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclopropyl)methanamine
CID 154991049
[3-fluoro-4-(trifluoromethyl)phenyl]-(4-methoxyoxan-4-yl)methanol
CID 107288648
1-[3-fluoro-4-(trifluoromethyl)phenyl]-N-methyl-1-(2-methyloxolan-2-yl)methanamine
CID 107289167
(3,4-diethylphenyl)-(1-methylcyclohexyl)methanol
CID 106828378
(3-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanol
CID 107287290
1-[3-fluoro-4-(trifluoromethyl)phenyl]pentan-1-ol
CID 107287355
(2,6-difluorophenyl)-(1-methylcyclopentyl)methanol
CID 115799747
1-[3-fluoro-4-(trifluoromethyl)phenyl]propane-1,2,3-triol
CID 170818370
2,3-dihydro-1-benzofuran-5-yl-(1-methylcyclohexyl)methanol
CID 106828274
1-[3-fluoro-4-(trifluoromethyl)phenyl]-2-phenylpropan-1-ol
CID 107287362
3,4-dihydro-2H-chromen-6-yl-(1-methylcyclohexyl)methanol
CID 106828329
[(2,2-dimethylcyclopropyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292542

Frequently Asked Questions

What is the IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol?
The IUPAC name of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol (CID 107292057) is [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol.
What is the SMILES notation for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol?
The canonical SMILES for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol is CC1(C(O)c2ccc(C(F)(F)F)c(F)c2)CCCCC1.
What is the InChIKey of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol?
The InChIKey is HUTMEAMTKVADRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F4O/c1-14(7-3-2-4-8-14)13(20)10-5-6-11(12(16)9-10)15(17,18)19/h5-6,9,13,20H,2-4,7-8H2,1H3.
What are the key properties of [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol?
[3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol has a molecular weight of 290.30 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [3-fluoro-4-(trifluoromethyl)phenyl]-(1-methylcyclohexyl)methanol is sourced from PubChem (CID 107292057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).