1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol

C15H19F3O2 — CID 105125713

IUPAC1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC(F)(F)CC2)c1F
InChIInChI=1S/C15H19F3O2/c1-20-13-4-2-3-11(14(13)16)9-12(19)10-5-7-15(17,18)8-6-10/h2-4,10,12,19H,5-9H2,1H3
InChIKeyQNPGEGBTNSUPKV-UHFFFAOYSA-N
MW288.31 g/mol
LogP3.56
Rot. Bonds4

About 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol

1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (PubChem CID 105125713) has the molecular formula C15H19F3O2 and a molecular weight of 288.31 g/mol. Its IUPAC name is 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.

Molecular Properties

Compound Name1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
PubChem CID105125713
Molecular FormulaC15H19F3O2
Molecular Weight288.31 g/mol
Exact Mass288.13
IUPAC Name1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol
SMILESCOc1cccc(CC(O)C2CCC(F)(F)CC2)c1F
InChIInChI=1S/C15H19F3O2/c1-20-13-4-2-3-11(14(13)16)9-12(19)10-5-7-15(17,18)8-6-10/h2-4,10,12,19H,5-9H2,1H3
InChIKeyQNPGEGBTNSUPKV-UHFFFAOYSA-N
XLogP3.56
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(2-fluoro-3-methoxyphenyl)-1-(4-methylcyclohexyl)ethanol
CID 104793177
1-(4,4-difluorocyclohexyl)-2-(2-methoxy-5-methylphenyl)ethanol
CID 105083584
1-cyclopropyl-3-(2-fluoro-3-methoxyphenyl)propane-1,2-diol
CID 103456969
2-(2-bromo-5-fluorophenyl)-1-(4,4-difluorocyclohexyl)ethanol
CID 105088370
1-(4,4-dimethylcyclohexyl)-2-(2-fluoro-3-methoxyphenyl)-N-methylethanamine
CID 104794042
(4,4-difluorocyclohexyl)-(2,6-dimethoxyphenyl)methanol
CID 105131631
3-cyclopropyl-1-(2-fluoro-3-methoxyphenyl)butan-2-one
CID 115800224
1,1,1-trifluoro-3-(2-fluoro-3-methoxyphenyl)propan-2-ol
CID 104793601
1-(2-fluoro-3-methoxyphenyl)-3-propan-2-ylsulfanylpropan-2-ol
CID 104793618
2-(2-fluoro-3-methoxyphenyl)-1-pyrimidin-2-ylethanol
CID 104793572
2-[(2-fluoro-3-methoxyphenyl)methyl]-4-methylpentan-1-ol
CID 113453955
2-(2-fluoro-3-methoxyphenyl)-1-(1-methoxycyclopentyl)ethanamine
CID 104794288

Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The IUPAC name of 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol (CID 105125713) is 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol.
What is the SMILES notation for 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The canonical SMILES for 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is COc1cccc(CC(O)C2CCC(F)(F)CC2)c1F.
What is the InChIKey of 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
The InChIKey is QNPGEGBTNSUPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3O2/c1-20-13-4-2-3-11(14(13)16)9-12(19)10-5-7-15(17,18)8-6-10/h2-4,10,12,19H,5-9H2,1H3.
What are the key properties of 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol?
1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol has a molecular weight of 288.31 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorocyclohexyl)-2-(2-fluoro-3-methoxyphenyl)ethanol is sourced from PubChem (CID 105125713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).