1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

C12H21F2NO2 — CID 107481206

IUPAC1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)C1CCCCC1
InChIInChI=1S/C12H21F2NO2/c13-12(14)9-15(6-7-16)8-11(17)10-4-2-1-3-5-10/h10,12,16H,1-9H2
InChIKeyFDVOVNOVNOKXPT-UHFFFAOYSA-N
MW249.30 g/mol
LogP1.70
Rot. Bonds7

About 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone

1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (PubChem CID 107481206) has the molecular formula C12H21F2NO2 and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.

Molecular Properties

Compound Name1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
PubChem CID107481206
Molecular FormulaC12H21F2NO2
Molecular Weight249.30 g/mol
Exact Mass249.15
IUPAC Name1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
SMILESO=C(CN(CCO)CC(F)F)C1CCCCC1
InChIInChI=1S/C12H21F2NO2/c13-12(14)9-15(6-7-16)8-11(17)10-4-2-1-3-5-10/h10,12,16H,1-9H2
InChIKeyFDVOVNOVNOKXPT-UHFFFAOYSA-N
XLogP1.70
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)pyrrolidin-2-yl]cyclohexan-1-one
CID 79546778
2-[1-(3,3,3-Trifluoro-2-hydroxypropyl)piperidin-2-yl]cyclohexan-1-one
CID 79552948
4,4-difluoro-N,N-bis(2-hydroxyethyl)cyclohexane-1-carboxamide
CID 81932549
N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)cyclohexanecarboxamide
CID 103857282
2-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 103857290
4-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 103857321
3-cyclohexyl-N-(2-hydroxyethyl)-N-(2,2,2-trifluoroethyl)propanamide
CID 103857392
1-Cyclohexyl-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750088
1-Cyclohexyl-2-[ethyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750243
1-Cyclohexyl-2-[propyl(2,2,2-trifluoroethyl)amino]ethanone
CID 104750255
1-Cyclohexyl-2-[methyl(3,3,3-trifluoropropyl)amino]ethanone
CID 104750881
1-Cyclopentyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone
CID 107481170

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The IUPAC name of 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone (CID 107481206) is 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone.
What is the SMILES notation for 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The canonical SMILES for 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is O=C(CN(CCO)CC(F)F)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
The InChIKey is FDVOVNOVNOKXPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2NO2/c13-12(14)9-15(6-7-16)8-11(17)10-4-2-1-3-5-10/h10,12,16H,1-9H2.
What are the key properties of 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone?
1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone has a molecular weight of 249.30 g/mol, XLogP of 1.70, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]ethanone is sourced from PubChem (CID 107481206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).