3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

C13H25F2NO — CID 165490886

IUPAC3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CC(C)(F)F
InChIInChI=1S/C13H25F2NO/c1-9(2)11-6-5-10(17)7-12(11)16(4)8-13(3,14)15/h9-12,17H,5-8H2,1-4H3
InChIKeyMUTCOIXSINCVMF-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.76
Rot. Bonds4

About 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol

3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490886) has the molecular formula C13H25F2NO and a molecular weight of 249.34 g/mol. Its IUPAC name is 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490886
Molecular FormulaC13H25F2NO
Molecular Weight249.34 g/mol
Exact Mass249.19
IUPAC Name3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CC(C)(F)F
InChIInChI=1S/C13H25F2NO/c1-9(2)11-6-5-10(17)7-12(11)16(4)8-13(3,14)15/h9-12,17H,5-8H2,1-4H3
InChIKeyMUTCOIXSINCVMF-UHFFFAOYSA-N
XLogP2.76
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,3-Difluoroazetidin-1-yl)-2-propan-2-ylcyclohexan-1-ol
CID 178922854
4-Ethyl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 55094669
2-[[Methyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 55105829
2-[Ethyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 55105870
2-[[Propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609041
4-Propan-2-yl-2-[[propan-2-yl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62703991
2-[[Ethyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62704170
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propan-2-ylcyclohexan-1-ol
CID 62704171
4-Propan-2-yl-2-[[propyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62704357
2-[Methyl(2,2,2-trifluoroethyl)amino]-4-propan-2-ylcyclohexan-1-ol
CID 62704871
4-Propan-2-yl-2-[propan-2-yl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 62707915
4-Propan-2-yl-2-[propyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 62708098

Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490886) is 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)CC(C)(F)F.
What is the InChIKey of 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is MUTCOIXSINCVMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25F2NO/c1-9(2)11-6-5-10(17)7-12(11)16(4)8-13(3,14)15/h9-12,17H,5-8H2,1-4H3.
What are the key properties of 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 249.34 g/mol, XLogP of 2.76, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoropropyl(methyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).