1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

C11H20F3NO — CID 79126440

IUPAC1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-4-9(6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3
InChIKeyQMZCJISMWAQCLW-UHFFFAOYSA-N
MW239.28 g/mol
LogP2.45
Rot. Bonds3

About 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol

1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79126440) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79126440
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-4-9(6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3
InChIKeyQMZCJISMWAQCLW-UHFFFAOYSA-N
XLogP2.45
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-Amino-2-cyclohexylbutan-2-ol
CID 20481707
1-(Aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol hydrochloride
CID 75481559
1-(Aminomethyl)-3-(trifluoromethyl)cyclohexan-1-ol
CID 64759262
1-Aminomethyl-4,4-difluoro-3-methyl-cyclohexanol
CID 118556057
1-Aminomethyl-4,4-difluoro-3-methyl-cyclohexanol hydrochloride
CID 118556116
Aminomethyl-3,3-difluoro-5-methyl-cyclohexanol
CID 121393497
1-(Aminomethyl)-3,3-difluoro-5,5-dimethylcyclohexan-1-ol
CID 141432210
4-(2-Aminoethyl)-1,1,1-trifluoro-3,6-dimethyl-2-(trifluoromethyl)heptan-2-ol
CID 175075695
1-[1-(Aminomethyl)-4-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79123461
1-[1-(Aminomethyl)-3-methylcyclohexyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79123713
1-(1-Aminobutan-2-yl)-4-(trifluoromethyl)cyclohexan-1-ol
CID 79124207
1-[1-(Aminomethyl)cyclobutyl]-3-(trifluoromethyl)cyclohexan-1-ol
CID 79124421

Frequently Asked Questions

What is the IUPAC name of 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 79126440) is 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CCC(CN)C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is QMZCJISMWAQCLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-8(7-15)10(16)5-3-4-9(6-10)11(12,13)14/h8-9,16H,2-7,15H2,1H3.
What are the key properties of 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 239.28 g/mol, XLogP of 2.45, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminobutan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79126440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).