2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol

C16H22F2O2 — CID 116756591

IUPAC2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
SMILESCCOC(C1CCCCC1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H22F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-13(17)10-14(18)9-12/h8-11,15-16,19H,2-7H2,1H3
InChIKeyOFAPCJDJLIWKAF-UHFFFAOYSA-N
MW284.35 g/mol
LogP3.98
Rot. Bonds5

About 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol

2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol (PubChem CID 116756591) has the molecular formula C16H22F2O2 and a molecular weight of 284.35 g/mol. Its IUPAC name is 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol.

Molecular Properties

Compound Name2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
PubChem CID116756591
Molecular FormulaC16H22F2O2
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Name2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol
SMILESCCOC(C1CCCCC1)C(O)c1cc(F)cc(F)c1
InChIInChI=1S/C16H22F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-13(17)10-14(18)9-12/h8-11,15-16,19H,2-7H2,1H3
InChIKeyOFAPCJDJLIWKAF-UHFFFAOYSA-N
XLogP3.98
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-2,6-difluorophenyl)-2-cyclohexyl-2-ethoxyethanol
CID 106942130
1-(3,5-difluorophenyl)-2,2-diethoxyethanol
CID 79496044
2-cyclohexyl-1-cyclopentyl-2-ethoxyethanol
CID 116756693
2-cyclohexyl-1-(2,5-dimethylphenyl)-2-ethoxyethanol
CID 116756745
2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)-N-methylethanamine
CID 116772276
[2-cyclohexyl-2-ethoxy-1-(3-fluorophenyl)ethyl]hydrazine
CID 105278882
1-(2-amino-5-methyl-3-pyridinyl)-2-cyclohexyl-2-ethoxyethanol
CID 116756726
1-cyclohexyl-3-(2,6-difluorophenyl)-1-ethoxypropan-2-ol
CID 114931734
2-cyclohexyl-2-ethoxy-1-(3-fluoro-4-methylphenyl)ethanamine
CID 107129246
3-(2-bromo-5-fluorophenyl)-1-cyclohexyl-1-ethoxypropan-2-amine
CID 116771947
2-cyclohexyl-2-ethoxy-1-(4-fluoro-3-methylphenyl)ethanamine
CID 116772073
2-cyclopropyl-2-ethoxy-1-(3-ethoxyphenyl)ethanol
CID 116712902

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol?
The IUPAC name of 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol (CID 116756591) is 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol.
What is the SMILES notation for 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol?
The canonical SMILES for 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol is CCOC(C1CCCCC1)C(O)c1cc(F)cc(F)c1.
What is the InChIKey of 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol?
The InChIKey is OFAPCJDJLIWKAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2O2/c1-2-20-16(11-6-4-3-5-7-11)15(19)12-8-13(17)10-14(18)9-12/h8-11,15-16,19H,2-7H2,1H3.
What are the key properties of 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol?
2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol has a molecular weight of 284.35 g/mol, XLogP of 3.98, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-1-(3,5-difluorophenyl)-2-ethoxyethanol is sourced from PubChem (CID 116756591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).