2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol

C15H26F2O — CID 114224702

IUPAC2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C15H26F2O/c1-2-11-5-6-13(8-11)14(18)9-12-4-3-7-15(16,17)10-12/h11-14,18H,2-10H2,1H3
InChIKeySTVYAJLYLWAKML-UHFFFAOYSA-N
MW260.37 g/mol
LogP4.39
Rot. Bonds4

About 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol

2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol (PubChem CID 114224702) has the molecular formula C15H26F2O and a molecular weight of 260.37 g/mol. Its IUPAC name is 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol.

Molecular Properties

Compound Name2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
PubChem CID114224702
Molecular FormulaC15H26F2O
Molecular Weight260.37 g/mol
Exact Mass260.20
IUPAC Name2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
SMILESCCC1CCC(C(O)CC2CCCC(F)(F)C2)C1
InChIInChI=1S/C15H26F2O/c1-2-11-5-6-13(8-11)14(18)9-12-4-3-7-15(16,17)10-12/h11-14,18H,2-10H2,1H3
InChIKeySTVYAJLYLWAKML-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.37
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-cyclobutyl-1-(3-ethylcyclohexyl)ethanol
CID 65457880
2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
3-(2-chloro-3-methylbutyl)-1,1-difluorocyclohexane
CID 130487710
1-(3-ethylcyclohexyl)-2-(thian-4-yl)ethanol
CID 105104403
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277
3-(2-chlorobutyl)-1,1-difluorocyclohexane
CID 126974576
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
CID 114215722
1-cyclohexyl-3-(3,3-difluorocyclopentyl)propan-2-ol
CID 114224509
1-(3-ethylcyclopentyl)but-3-en-1-ol
CID 65409759
2-(3,3-difluorocyclohexyl)-1-(4-ethylcyclohexyl)ethanone
CID 114224600
1-(3,3-difluorocyclopentyl)propan-2-ol
CID 130487406
cyclopropyl-(3-ethylcyclopentyl)methanol
CID 65411720

Frequently Asked Questions

What is the IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol?
The IUPAC name of 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol (CID 114224702) is 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol.
What is the SMILES notation for 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol?
The canonical SMILES for 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol is CCC1CCC(C(O)CC2CCCC(F)(F)C2)C1.
What is the InChIKey of 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol?
The InChIKey is STVYAJLYLWAKML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26F2O/c1-2-11-5-6-13(8-11)14(18)9-12-4-3-7-15(16,17)10-12/h11-14,18H,2-10H2,1H3.
What are the key properties of 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol?
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol has a molecular weight of 260.37 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol is sourced from PubChem (CID 114224702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).