3-amino-4-fluorocyclohexan-1-ol

C6H12FNO — CID 134247599

IUPAC3-amino-4-fluorocyclohexan-1-ol
SMILESNC1CC(O)CCC1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,8H2
InChIKeyDOMRRJPPQXFKST-UHFFFAOYSA-N
MW133.17 g/mol
LogP0.20
Rot. Bonds

About 3-amino-4-fluorocyclohexan-1-ol

3-amino-4-fluorocyclohexan-1-ol (PubChem CID 134247599) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is 3-amino-4-fluorocyclohexan-1-ol.

Molecular Properties

Compound Name3-amino-4-fluorocyclohexan-1-ol
PubChem CID134247599
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name3-amino-4-fluorocyclohexan-1-ol
SMILESNC1CC(O)CCC1F
InChIInChI=1S/C6H12FNO/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,8H2
InChIKeyDOMRRJPPQXFKST-UHFFFAOYSA-N
XLogP0.20
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-amino-4-fluorocyclohexan-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-4-fluorocyclohexan-1-ol?
The IUPAC name of 3-amino-4-fluorocyclohexan-1-ol (CID 134247599) is 3-amino-4-fluorocyclohexan-1-ol.
What is the SMILES notation for 3-amino-4-fluorocyclohexan-1-ol?
The canonical SMILES for 3-amino-4-fluorocyclohexan-1-ol is NC1CC(O)CCC1F.
What is the InChIKey of 3-amino-4-fluorocyclohexan-1-ol?
The InChIKey is DOMRRJPPQXFKST-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNO/c7-5-2-1-4(9)3-6(5)8/h4-6,9H,1-3,8H2.
What are the key properties of 3-amino-4-fluorocyclohexan-1-ol?
3-amino-4-fluorocyclohexan-1-ol has a molecular weight of 133.17 g/mol, XLogP of 0.20, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluorocyclohexan-1-ol is sourced from PubChem (CID 134247599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).