(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol

C16H22F2O — CID 71117377

IUPAC(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2O/c1-10-5-4-8-16(2,3)14(10)15(19)11-6-7-12(17)13(18)9-11/h6-7,9-10,14-15,19H,4-5,8H2,1-3H3/t10-,14-,15?/m0/s1
InChIKeyUTNZJSOFJPMICK-BNVJPMHFSA-N
MW268.35 g/mol
LogP4.46
Rot. Bonds2

About (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol

(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol (PubChem CID 71117377) has the molecular formula C16H22F2O and a molecular weight of 268.35 g/mol. Its IUPAC name is (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol.

Molecular Properties

Compound Name(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
PubChem CID71117377
Molecular FormulaC16H22F2O
Molecular Weight268.35 g/mol
Exact Mass268.16
IUPAC Name(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
SMILESC[C@H]1CCCC(C)(C)[C@@H]1C(O)c1ccc(F)c(F)c1
InChIInChI=1S/C16H22F2O/c1-10-5-4-8-16(2,3)14(10)15(19)11-6-7-12(17)13(18)9-11/h6-7,9-10,14-15,19H,4-5,8H2,1-3H3/t10-,14-,15?/m0/s1
InChIKeyUTNZJSOFJPMICK-BNVJPMHFSA-N
XLogP4.46
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.35
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(4-fluorophenyl)-[(1S,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117110
(R)-(3,4-dimethylphenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol
CID 71117323
4-[hydroxy-[(1S,6R)-2,2,6-trimethylcyclohexyl]methyl]-2-methylbenzonitrile
CID 71116877
4-[(R)-hydroxy-[(1R,6S)-2,2,6-trimethylcyclohexyl]methyl]-2-(trifluoromethyl)benzonitrile
CID 71117027
(3,4-difluorophenyl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 66475995
(S)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184621
(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
(1R)-2-(3-fluorophenyl)-1-[(1R,6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71116930
(1R)-2-(3-fluorophenyl)-1-[(6S)-2,2,6-trimethylcyclohexyl]ethanol
CID 71582376
4-[bromo-(2-methylcyclopentyl)methyl]-1,2-difluorobenzene
CID 107182232
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
1-(3,4-difluorophenyl)-1-(2,2-dimethylcyclohexyl)-N-methylmethanamine
CID 107177248

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The IUPAC name of (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol (CID 71117377) is (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol.
What is the SMILES notation for (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The canonical SMILES for (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol is C[C@H]1CCCC(C)(C)[C@@H]1C(O)c1ccc(F)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
The InChIKey is UTNZJSOFJPMICK-BNVJPMHFSA-N. The full InChI is InChI=1S/C16H22F2O/c1-10-5-4-8-16(2,3)14(10)15(19)11-6-7-12(17)13(18)9-11/h6-7,9-10,14-15,19H,4-5,8H2,1-3H3/t10-,14-,15?/m0/s1.
What are the key properties of (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol?
(3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol has a molecular weight of 268.35 g/mol, XLogP of 4.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-[(1R,6S)-2,2,6-trimethylcyclohexyl]methanol is sourced from PubChem (CID 71117377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).