(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol

C14H17F3O2 — CID 105095417

IUPAC(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C14H17F3O2/c1-19-12-3-2-10(8-11(12)15)13(18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,18H,4-7H2,1H3
InChIKeyYBVDTPUNUIZGFQ-UHFFFAOYSA-N
MW274.28 g/mol
LogP3.69
Rot. Bonds3

About (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol

(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol (PubChem CID 105095417) has the molecular formula C14H17F3O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol.

Molecular Properties

Compound Name(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
PubChem CID105095417
Molecular FormulaC14H17F3O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC Name(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol
SMILESCOc1ccc(C(O)C2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C14H17F3O2/c1-19-12-3-2-10(8-11(12)15)13(18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,18H,4-7H2,1H3
InChIKeyYBVDTPUNUIZGFQ-UHFFFAOYSA-N
XLogP3.69
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(4,4-difluorocyclohexyl)-(5-fluoro-2-methoxyphenyl)methanol
CID 105122331
(3-fluoro-4-methoxyphenyl)-(6-oxaspiro[4.5]decan-9-yl)methanol
CID 79907174
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
cycloheptyl-(4-fluoro-3-methoxyphenyl)methanol
CID 115829463
(1R)-2-bromo-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 83000611
(3-tert-butyl-4-methoxyphenyl)-cyclopropylmethanol
CID 82049131
(1R,2S)-2-amino-1-cyclopentyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161937
(1R,2S)-2-amino-1-cyclobutyl-2-(3-fluoro-4-methoxyphenyl)ethanol
CID 171161939
(4-tert-butylphenyl)-(4,4-difluorocyclohexyl)methanol
CID 105091802
(2R)-2-(3-fluoro-4-methoxyphenyl)propanoic acid
CID 92983104
(4,4-difluorocyclohexyl)-(3-methoxy-2-pyridinyl)methanol
CID 114054843
2-amino-1-(3-fluoro-4-methoxyphenyl)ethanol
CID 13079645

Frequently Asked Questions

What is the IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol?
The IUPAC name of (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol (CID 105095417) is (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol.
What is the SMILES notation for (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol?
The canonical SMILES for (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol is COc1ccc(C(O)C2CCC(F)(F)CC2)cc1F.
What is the InChIKey of (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol?
The InChIKey is YBVDTPUNUIZGFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O2/c1-19-12-3-2-10(8-11(12)15)13(18)9-4-6-14(16,17)7-5-9/h2-3,8-9,13,18H,4-7H2,1H3.
What are the key properties of (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol?
(4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol has a molecular weight of 274.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluorocyclohexyl)-(3-fluoro-4-methoxyphenyl)methanol is sourced from PubChem (CID 105095417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).