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

C13H24F3NO — CID 165490794

IUPAC3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(18)8-12(11)17(3)7-6-13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyOUEVXPVFQRUZHZ-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.06
Rot. Bonds4

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

3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol (PubChem CID 165490794) has the molecular formula C13H24F3NO and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol
PubChem CID165490794
Molecular FormulaC13H24F3NO
Molecular Weight267.33 g/mol
Exact Mass267.18
IUPAC Name3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol
SMILESCC(C)C1CCC(O)CC1N(C)CCC(F)(F)F
InChIInChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(18)8-12(11)17(3)7-6-13(14,15)16/h9-12,18H,4-8H2,1-3H3
InChIKeyOUEVXPVFQRUZHZ-UHFFFAOYSA-N
XLogP3.06
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.06
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-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The IUPAC name of 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol (CID 165490794) is 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol.
What is the SMILES notation for 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The canonical SMILES for 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol is CC(C)C1CCC(O)CC1N(C)CCC(F)(F)F.
What is the InChIKey of 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol?
The InChIKey is OUEVXPVFQRUZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO/c1-9(2)11-5-4-10(18)8-12(11)17(3)7-6-13(14,15)16/h9-12,18H,4-8H2,1-3H3.
What are the key properties of 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol?
3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl(3,3,3-trifluoropropyl)amino]-4-propan-2-ylcyclohexan-1-ol is sourced from PubChem (CID 165490794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).