(S)-cyclohexyl-(3,4-difluorophenyl)methanol

C13H16F2O — CID 93184621

IUPAC(S)-cyclohexyl-(3,4-difluorophenyl)methanol
SMILESO[C@H](c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C13H16F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m0/s1
InChIKeyGXZOYKZJWNCWCO-ZDUSSCGKSA-N
MW226.27 g/mol
LogP3.58
Rot. Bonds2

About (S)-cyclohexyl-(3,4-difluorophenyl)methanol

(S)-cyclohexyl-(3,4-difluorophenyl)methanol (PubChem CID 93184621) has the molecular formula C13H16F2O and a molecular weight of 226.27 g/mol. Its IUPAC name is (S)-cyclohexyl-(3,4-difluorophenyl)methanol.

Molecular Properties

Compound Name(S)-cyclohexyl-(3,4-difluorophenyl)methanol
PubChem CID93184621
Molecular FormulaC13H16F2O
Molecular Weight226.27 g/mol
Exact Mass226.12
IUPAC Name(S)-cyclohexyl-(3,4-difluorophenyl)methanol
SMILESO[C@H](c1ccc(F)c(F)c1)C1CCCCC1
InChIInChI=1S/C13H16F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m0/s1
InChIKeyGXZOYKZJWNCWCO-ZDUSSCGKSA-N
XLogP3.58
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(R)-cyclohexyl-(3,4-difluorophenyl)methanol
CID 93184618
cyclopentyl-(4-fluoro-3-methylphenyl)methanol
CID 60929105
(3,4-difluorophenyl)-piperidin-4-ylmethanol
CID 43146486
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
cyclohexyl-[4-(difluoromethyl)phenyl]methanol
CID 115524882
cyclooctyl-(3,4-dichlorophenyl)methanol
CID 65023087
2-(1-cyclohexylpropylamino)-1-(3,4-difluorophenyl)ethanol
CID 62406830
2-cycloheptyl-2-(3,4-difluorophenyl)ethanamine
CID 83973673
2-cyclohexyl-2-(3,4-difluorophenyl)ethanamine
CID 82084320
(R)-(3,4-difluorophenyl)-[(2S)-pyrrolidin-2-yl]methanol
CID 93183518
2-[[(1S)-1-cyclopentylethyl]amino]-1-(3,4-difluorophenyl)ethanol
CID 81396113
2-cyclohexylsulfanyl-1-(3,4-difluorophenyl)ethanol
CID 65139790

Frequently Asked Questions

What is the IUPAC name of (S)-cyclohexyl-(3,4-difluorophenyl)methanol?
The IUPAC name of (S)-cyclohexyl-(3,4-difluorophenyl)methanol (CID 93184621) is (S)-cyclohexyl-(3,4-difluorophenyl)methanol.
What is the SMILES notation for (S)-cyclohexyl-(3,4-difluorophenyl)methanol?
The canonical SMILES for (S)-cyclohexyl-(3,4-difluorophenyl)methanol is O[C@H](c1ccc(F)c(F)c1)C1CCCCC1.
What is the InChIKey of (S)-cyclohexyl-(3,4-difluorophenyl)methanol?
The InChIKey is GXZOYKZJWNCWCO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H16F2O/c14-11-7-6-10(8-12(11)15)13(16)9-4-2-1-3-5-9/h6-9,13,16H,1-5H2/t13-/m0/s1.
What are the key properties of (S)-cyclohexyl-(3,4-difluorophenyl)methanol?
(S)-cyclohexyl-(3,4-difluorophenyl)methanol has a molecular weight of 226.27 g/mol, XLogP of 3.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (S)-cyclohexyl-(3,4-difluorophenyl)methanol is sourced from PubChem (CID 93184621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).