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

C7H12F3NO — CID 54594717

IUPAC2-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESNC1CCCCC1(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2
InChIKeyKWSACQWMYUUSMV-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.18
Rot. Bonds

About 2-amino-1-(trifluoromethyl)cyclohexan-1-ol

2-amino-1-(trifluoromethyl)cyclohexan-1-ol (PubChem CID 54594717) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-1-(trifluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-amino-1-(trifluoromethyl)cyclohexan-1-ol
PubChem CID54594717
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-amino-1-(trifluoromethyl)cyclohexan-1-ol
SMILESNC1CCCCC1(O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2
InChIKeyKWSACQWMYUUSMV-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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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The IUPAC name of 2-amino-1-(trifluoromethyl)cyclohexan-1-ol (CID 54594717) is 2-amino-1-(trifluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 2-amino-1-(trifluoromethyl)cyclohexan-1-ol is NC1CCCCC1(O)C(F)(F)F.
What is the InChIKey of 2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
The InChIKey is KWSACQWMYUUSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c8-7(9,10)6(12)4-2-1-3-5(6)11/h5,12H,1-4,11H2.
What are the key properties of 2-amino-1-(trifluoromethyl)cyclohexan-1-ol?
2-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 2-amino-1-(trifluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 54594717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).