4-amino-1-fluorocyclohexane-1-carboxylic acid

C7H12FNO2 — CID 71757909

IUPAC4-amino-1-fluorocyclohexane-1-carboxylic acid
SMILESNC1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C7H12FNO2/c8-7(6(10)11)3-1-5(9)2-4-7/h5H,1-4,9H2,(H,10,11)
InChIKeyVXFWYRVVJRNVNW-UHFFFAOYSA-N
MW161.18 g/mol
LogP0.68
Rot. Bonds1

About 4-amino-1-fluorocyclohexane-1-carboxylic acid

4-amino-1-fluorocyclohexane-1-carboxylic acid (PubChem CID 71757909) has the molecular formula C7H12FNO2 and a molecular weight of 161.18 g/mol. Its IUPAC name is 4-amino-1-fluorocyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-amino-1-fluorocyclohexane-1-carboxylic acid
PubChem CID71757909
Molecular FormulaC7H12FNO2
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Name4-amino-1-fluorocyclohexane-1-carboxylic acid
SMILESNC1CCC(F)(C(=O)O)CC1
InChIInChI=1S/C7H12FNO2/c8-7(6(10)11)3-1-5(9)2-4-7/h5H,1-4,9H2,(H,10,11)
InChIKeyVXFWYRVVJRNVNW-UHFFFAOYSA-N
XLogP0.68
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-amino-1-fluorocyclohexane-1-carboxylic acid 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 4-amino-1-fluorocyclohexane-1-carboxylic acid?
The IUPAC name of 4-amino-1-fluorocyclohexane-1-carboxylic acid (CID 71757909) is 4-amino-1-fluorocyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-amino-1-fluorocyclohexane-1-carboxylic acid?
The canonical SMILES for 4-amino-1-fluorocyclohexane-1-carboxylic acid is NC1CCC(F)(C(=O)O)CC1.
What is the InChIKey of 4-amino-1-fluorocyclohexane-1-carboxylic acid?
The InChIKey is VXFWYRVVJRNVNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO2/c8-7(6(10)11)3-1-5(9)2-4-7/h5H,1-4,9H2,(H,10,11).
What are the key properties of 4-amino-1-fluorocyclohexane-1-carboxylic acid?
4-amino-1-fluorocyclohexane-1-carboxylic acid has a molecular weight of 161.18 g/mol, XLogP of 0.68, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-fluorocyclohexane-1-carboxylic acid is sourced from PubChem (CID 71757909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).