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

C7H13F2NO — CID 80605815

IUPAC3-amino-1-(difluoromethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-2-5(10)4-7/h5-6,11H,1-4,10H2
InChIKeyPRAOJQWADSVZPA-UHFFFAOYSA-N
MW165.18 g/mol
LogP0.88
Rot. Bonds1

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

3-amino-1-(difluoromethyl)cyclohexan-1-ol (PubChem CID 80605815) has the molecular formula C7H13F2NO and a molecular weight of 165.18 g/mol. Its IUPAC name is 3-amino-1-(difluoromethyl)cyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-1-(difluoromethyl)cyclohexan-1-ol
PubChem CID80605815
Molecular FormulaC7H13F2NO
Molecular Weight165.18 g/mol
Exact Mass165.10
IUPAC Name3-amino-1-(difluoromethyl)cyclohexan-1-ol
SMILESNC1CCCC(O)(C(F)F)C1
InChIInChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-2-5(10)4-7/h5-6,11H,1-4,10H2
InChIKeyPRAOJQWADSVZPA-UHFFFAOYSA-N
XLogP0.88
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.18
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-1-(difluoromethyl)cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(difluoromethyl)cyclohexan-1-ol?
The IUPAC name of 3-amino-1-(difluoromethyl)cyclohexan-1-ol (CID 80605815) is 3-amino-1-(difluoromethyl)cyclohexan-1-ol.
What is the SMILES notation for 3-amino-1-(difluoromethyl)cyclohexan-1-ol?
The canonical SMILES for 3-amino-1-(difluoromethyl)cyclohexan-1-ol is NC1CCCC(O)(C(F)F)C1.
What is the InChIKey of 3-amino-1-(difluoromethyl)cyclohexan-1-ol?
The InChIKey is PRAOJQWADSVZPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO/c8-6(9)7(11)3-1-2-5(10)4-7/h5-6,11H,1-4,10H2.
What are the key properties of 3-amino-1-(difluoromethyl)cyclohexan-1-ol?
3-amino-1-(difluoromethyl)cyclohexan-1-ol has a molecular weight of 165.18 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(difluoromethyl)cyclohexan-1-ol is sourced from PubChem (CID 80605815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).