3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol

C12H23F2NO — CID 165491484

IUPAC3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCN(CC(F)F)C1CC(O)CCC1(C)C
InChIInChI=1S/C12H23F2NO/c1-4-15(8-11(13)14)10-7-9(16)5-6-12(10,2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyCAHIYPNAXGLKHU-UHFFFAOYSA-N
MW235.32 g/mol
LogP2.51
Rot. Bonds4

About 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol

3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol (PubChem CID 165491484) has the molecular formula C12H23F2NO and a molecular weight of 235.32 g/mol. Its IUPAC name is 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol
PubChem CID165491484
Molecular FormulaC12H23F2NO
Molecular Weight235.32 g/mol
Exact Mass235.17
IUPAC Name3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol
SMILESCCN(CC(F)F)C1CC(O)CCC1(C)C
InChIInChI=1S/C12H23F2NO/c1-4-15(8-11(13)14)10-7-9(16)5-6-12(10,2)3/h9-11,16H,4-8H2,1-3H3
InChIKeyCAHIYPNAXGLKHU-UHFFFAOYSA-N
XLogP2.51
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

[1-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexyl]methanol
CID 62271107
4,4-Dimethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 64399048
3-[Tert-butyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490683
3-[(2-Methoxyethyl)(propan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490684
3-[(2-Ethoxyethyl)(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490685
3-[Cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490687
3-[Cyclopropyl(ethyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490688
3-[Methyl(2-methylpropyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490689
3-(4-Methylpiperidin-1-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490690
3-[Cyclopentyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490691
3-[Methyl(2-methylbutan-2-yl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490692
3-[(Propan-2-yl)(propyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
CID 165490693

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol (CID 165491484) is 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol is CCN(CC(F)F)C1CC(O)CCC1(C)C.
What is the InChIKey of 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol?
The InChIKey is CAHIYPNAXGLKHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F2NO/c1-4-15(8-11(13)14)10-7-9(16)5-6-12(10,2)3/h9-11,16H,4-8H2,1-3H3.
What are the key properties of 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol?
3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol has a molecular weight of 235.32 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoroethyl(ethyl)amino]-4,4-dimethylcyclohexan-1-ol is sourced from PubChem (CID 165491484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).