3-amino-1-(trifluoromethyl)cyclohexan-1-ol

C7H12F3NO — CID 50989727

IUPAC3-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2
InChIKeyIJUVZQHBPFIBHU-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds

About 3-amino-1-(trifluoromethyl)cyclohexan-1-ol

3-amino-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 50989727) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 3-amino-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID50989727
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name3-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)(F)F)C1
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2
InChIKeyIJUVZQHBPFIBHU-UHFFFAOYSA-N
XLogP1.18
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

rel-(1R,3S)-3-Amino-1-(trifluoromethyl)cyclohexanol
CID 52420939
(1R,3R)-3-Amino-1-(trifluoromethyl)cyclohexanol
CID 52420941
3-Amino-1-(trifluoromethyl)cyclohexan-1-ol;2,2,2-trifluoroacetic acid
CID 90020523
3-Amino-4-fluoro-1-methylcyclohexan-1-ol
CID 90763186
3-Methoxy-3-(trifluoromethyl)cyclohexan-1-amine;hydrochloride
CID 135378166
(1S,3S)-3-amino-1-(trifluoromethyl)cyclohexanol
CID 52420935
(1S,3R)-3-amino-1-(trifluoromethyl)cyclohexanol
CID 52420937
[3-Hydroxy-3-(trifluoromethyl)cyclohexyl]azanium
CID 75844359
3-Amino-1-(3,3,3-trifluoropropyl)cyclohexan-1-ol
CID 80561243
3-Amino-1-(difluoromethyl)cyclohexan-1-ol
CID 80605815
3-(Methylamino)-1-(trifluoromethyl)cyclohexan-1-ol
CID 83915838
3-Methoxy-3-(trifluoromethyl)cyclohexan-1-amine
CID 84733442

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol (CID 50989727) is 3-amino-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol is NC1CCCC(O)(C(F)(F)F)C1.
What is the InChIKey of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is IJUVZQHBPFIBHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)3-1-2-5(11)4-6/h5,12H,1-4,11H2.
What are the key properties of 3-amino-1-(trifluoromethyl)cyclohexan-1-ol?
3-amino-1-(trifluoromethyl)cyclohexan-1-ol has a molecular weight of 183.17 g/mol, XLogP of 1.18, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 50989727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).