1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol

C13H22F2O2 — CID 114215722

IUPAC1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2O2/c14-13(15)5-1-2-11(9-13)12(16)8-10-3-6-17-7-4-10/h10-12,16H,1-9H2
InChIKeyMCURJHXQUIYERZ-UHFFFAOYSA-N
MW248.31 g/mol
LogP2.99
Rot. Bonds3

About 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol

1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol (PubChem CID 114215722) has the molecular formula C13H22F2O2 and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol.

Molecular Properties

Compound Name1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
PubChem CID114215722
Molecular FormulaC13H22F2O2
Molecular Weight248.31 g/mol
Exact Mass248.16
IUPAC Name1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol
SMILESOC(CC1CCOCC1)C1CCCC(F)(F)C1
InChIInChI=1S/C13H22F2O2/c14-13(15)5-1-2-11(9-13)12(16)8-10-3-6-17-7-4-10/h10-12,16H,1-9H2
InChIKeyMCURJHXQUIYERZ-UHFFFAOYSA-N
XLogP2.99
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-cyclohexyl-1-(3,3-difluorocyclohexyl)ethanol
CID 114215735
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
N-[(3,3-difluorocyclohexyl)methyl]-1-(oxan-4-yl)methanamine
CID 114223826
2-(3,3-difluorocyclohexyl)-1-(3-ethylcyclopentyl)ethanol
CID 114224702
(2S)-2-amino-2-(3,3-difluorocyclohexyl)ethanol
CID 160689350
(1R)-1-(3,3-difluorocyclohexyl)prop-2-yn-1-ol
CID 130563414
1-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl)-2-(oxan-4-yl)ethanol
CID 115789574
1-cyclopentyl-3-(oxan-4-yl)propan-2-ol
CID 115789647
1-cyclobutyl-2-cyclopropylethanol
CID 64986544
1-cyclopropyl-2-(1-oxaspiro[5.5]undecan-4-yl)ethanol
CID 79920851
2-(aminomethyl)-1-(3,3-difluorocyclohexyl)-4-methylpentan-1-ol
CID 114226754
(3R)-1,1-difluoro-3-(2-methylpropyl)cyclohexane
CID 121406277

Frequently Asked Questions

What is the IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol?
The IUPAC name of 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol (CID 114215722) is 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol.
What is the SMILES notation for 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol?
The canonical SMILES for 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol is OC(CC1CCOCC1)C1CCCC(F)(F)C1.
What is the InChIKey of 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol?
The InChIKey is MCURJHXQUIYERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22F2O2/c14-13(15)5-1-2-11(9-13)12(16)8-10-3-6-17-7-4-10/h10-12,16H,1-9H2.
What are the key properties of 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol?
1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol has a molecular weight of 248.31 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-difluorocyclohexyl)-2-(oxan-4-yl)ethanol is sourced from PubChem (CID 114215722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).