2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol

C12H23F2NO — CID 107485364

IUPAC2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCC(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-2-10-4-3-5-11(8-10)15(6-7-16)9-12(13)14/h10-12,16H,2-9H2,1H3
InChIKeyWPZCLPIMXABYLU-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.51
Rot. Bonds6

About 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol

2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol (PubChem CID 107485364) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol.

Molecular Properties

Compound Name2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol
PubChem CID107485364
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol
SMILESCCC1CCCC(N(CCO)CC(F)F)C1
InChIInChI=1S/C12H23F2NO/c1-2-10-4-3-5-11(8-10)15(6-7-16)9-12(13)14/h10-12,16H,2-9H2,1H3
InChIKeyWPZCLPIMXABYLU-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.32
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[cyclohexyl(2,2-difluoroethyl)amino]ethanol
CID 62016408
N'-(2,2-difluoroethyl)-N'-(4-ethylcyclohexyl)ethane-1,2-diamine
CID 107494416
2-[cyclohexyl(2-ethylbutyl)amino]ethanol
CID 82930046
2-[cyclopentyl(2-methylpentyl)amino]ethanol
CID 62266267
N-(2-chloroethyl)-N-(2,2-difluoroethyl)-3-methoxycyclohexan-1-amine
CID 107488096
2-[cyclobutyl-[[5-ethyl-2-(methylamino)cyclohexyl]methyl]amino]ethanol
CID 102870906
2-[ethyl-(4-ethylcyclohexyl)amino]ethanol
CID 64774254
3-[cyclobutyl(2-hydroxyethyl)amino]propane-1,2-diol
CID 102867765
[(1S,3R)-3-ethylcyclohexyl]methanol
CID 14940078
2-[(3-ethylcyclohexyl)-(2,2,2-trifluoroethyl)amino]acetic acid
CID 79258042
3-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1-methylpyrrolidin-2-one
CID 107485443
1-(3-ethylcyclohexyl)-2,2-difluoroethanol
CID 112699179

Frequently Asked Questions

What is the IUPAC name of 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol?
The IUPAC name of 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol (CID 107485364) is 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol.
What is the SMILES notation for 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol?
The canonical SMILES for 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol is CCC1CCCC(N(CCO)CC(F)F)C1.
What is the InChIKey of 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol?
The InChIKey is WPZCLPIMXABYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-2-10-4-3-5-11(8-10)15(6-7-16)9-12(13)14/h10-12,16H,2-9H2,1H3.
What are the key properties of 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol?
2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol has a molecular weight of 235.32 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,2-difluoroethyl-(3-ethylcyclohexyl)amino]ethanol is sourced from PubChem (CID 107485364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).