1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol

C15H22FNO — CID 114080710

IUPAC1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCC1CC(C)CC(C(C)(O)c2cncc(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-10-4-11(2)6-12(5-10)15(3,18)13-7-14(16)9-17-8-13/h7-12,18H,4-6H2,1-3H3
InChIKeyDURCAJAHDKEYDJ-UHFFFAOYSA-N
MW251.34 g/mol
LogP3.50
Rot. Bonds2

About 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol

1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol (PubChem CID 114080710) has the molecular formula C15H22FNO and a molecular weight of 251.34 g/mol. Its IUPAC name is 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol.

Molecular Properties

Compound Name1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol
PubChem CID114080710
Molecular FormulaC15H22FNO
Molecular Weight251.34 g/mol
Exact Mass251.17
IUPAC Name1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol
SMILESCC1CC(C)CC(C(C)(O)c2cncc(F)c2)C1
InChIInChI=1S/C15H22FNO/c1-10-4-11(2)6-12(5-10)15(3,18)13-7-14(16)9-17-8-13/h7-12,18H,4-6H2,1-3H3
InChIKeyDURCAJAHDKEYDJ-UHFFFAOYSA-N
XLogP3.50
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.34
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(5-fluoro-3-pyridinyl)propan-1-ol
CID 55292830
1-(3,5-dimethylcyclohexyl)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanol
CID 64730675
2-(5-fluoro-3-pyridinyl)-1-(methylamino)propan-2-ol
CID 66039605
1-(3,5-dimethylcyclohexyl)-1-(furan-3-yl)ethanol
CID 115467343
2-(5-fluoro-3-pyridinyl)-1-(oxan-4-yl)propan-2-ol
CID 114080683
1-(5-fluoro-3-pyridinyl)-1-phenylbutan-1-ol
CID 54966036
3-fluoro-5-(2-methylbut-3-en-2-yl)pyridine
CID 91439581
1-cyclopropyl-1-pyrimidin-5-ylethanol
CID 62492242
1-(5-chlorothiophen-2-yl)-2-(5-fluoro-3-pyridinyl)propan-2-ol
CID 114080689
1-(5-fluoro-3-pyridinyl)-1-(3-methylthiophen-2-yl)ethanol
CID 63992110
2-[cyclopropyl(formyl)amino]-2-(5-fluoro-3-pyridinyl)propanoic acid
CID 114080608
2-(5-fluoro-3-pyridinyl)-1-(2-methoxyethylamino)propan-2-ol
CID 66037072

Frequently Asked Questions

What is the IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The IUPAC name of 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol (CID 114080710) is 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol.
What is the SMILES notation for 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The canonical SMILES for 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol is CC1CC(C)CC(C(C)(O)c2cncc(F)c2)C1.
What is the InChIKey of 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol?
The InChIKey is DURCAJAHDKEYDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22FNO/c1-10-4-11(2)6-12(5-10)15(3,18)13-7-14(16)9-17-8-13/h7-12,18H,4-6H2,1-3H3.
What are the key properties of 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol?
1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol has a molecular weight of 251.34 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,5-dimethylcyclohexyl)-1-(5-fluoro-3-pyridinyl)ethanol is sourced from PubChem (CID 114080710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).