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

C10H18F3NO — CID 79125232

IUPAC1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(6-14)9(15)4-2-3-8(5-9)10(11,12)13/h7-8,15H,2-6,14H2,1H3
InChIKeyNQBJDFLDQSUCQT-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.06
Rot. Bonds2

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

1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 79125232) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
PubChem CID79125232
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol
SMILESCC(CN)C1(O)CCCC(C(F)(F)F)C1
InChIInChI=1S/C10H18F3NO/c1-7(6-14)9(15)4-2-3-8(5-9)10(11,12)13/h7-8,15H,2-6,14H2,1H3
InChIKeyNQBJDFLDQSUCQT-UHFFFAOYSA-N
XLogP2.06
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.06
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-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol (CID 79125232) is 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is CC(CN)C1(O)CCCC(C(F)(F)F)C1.
What is the InChIKey of 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is NQBJDFLDQSUCQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-7(6-14)9(15)4-2-3-8(5-9)10(11,12)13/h7-8,15H,2-6,14H2,1H3.
What are the key properties of 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol?
1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 225.25 g/mol, XLogP of 2.06, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-aminopropan-2-yl)-3-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 79125232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).