3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

C11H18F3NO — CID 165490687

IUPAC3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(7-2-3-7)10-6-8(16)4-5-9(10)11(12,13)14/h7-10,16H,2-6H2,1H3
InChIKeyIXOJONBJFYKPEX-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.17
Rot. Bonds2

About 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol

3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 165490687) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
PubChem CID165490687
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol
SMILESCN(C1CC1)C1CC(O)CCC1C(F)(F)F
InChIInChI=1S/C11H18F3NO/c1-15(7-2-3-7)10-6-8(16)4-5-9(10)11(12,13)14/h7-10,16H,2-6H2,1H3
InChIKeyIXOJONBJFYKPEX-UHFFFAOYSA-N
XLogP2.17
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-ethylcyclohexan-1-ol
CID 55094671
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]cyclohexan-1-ol
CID 62609560
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-methylcyclohexan-1-ol
CID 62609561
2-[[Cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-4-propylcyclohexan-1-ol
CID 62609735
3-[Cyclopropyl(2,2,2-trifluoroethyl)amino]cyclohexan-1-ol
CID 79619095
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(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

Frequently Asked Questions

What is the IUPAC name of 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol (CID 165490687) is 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is CN(C1CC1)C1CC(O)CCC1C(F)(F)F.
What is the InChIKey of 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IXOJONBJFYKPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-15(7-2-3-7)10-6-8(16)4-5-9(10)11(12,13)14/h7-10,16H,2-6H2,1H3.
What are the key properties of 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol?
3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 237.26 g/mol, XLogP of 2.17, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[cyclopropyl(methyl)amino]-4-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 165490687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).