1-(4-fluoroanilino)cyclohexane-1-carboxylic acid

C13H16FNO2 — CID 2759069

IUPAC1-(4-fluoroanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H16FNO2/c14-10-4-6-11(7-5-10)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17)
InChIKeyJKGLJELEVKQFLV-UHFFFAOYSA-N
MW237.27 g/mol
LogP3.03
Rot. Bonds3

About 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid

1-(4-fluoroanilino)cyclohexane-1-carboxylic acid (PubChem CID 2759069) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4-fluoroanilino)cyclohexane-1-carboxylic acid
PubChem CID2759069
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Name1-(4-fluoroanilino)cyclohexane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccc(F)cc2)CCCCC1
InChIInChI=1S/C13H16FNO2/c14-10-4-6-11(7-5-10)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17)
InChIKeyJKGLJELEVKQFLV-UHFFFAOYSA-N
XLogP3.03
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid (CID 2759069) is 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid is O=C(O)C1(Nc2ccc(F)cc2)CCCCC1.
What is the InChIKey of 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid?
The InChIKey is JKGLJELEVKQFLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c14-10-4-6-11(7-5-10)15-13(12(16)17)8-2-1-3-9-13/h4-7,15H,1-3,8-9H2,(H,16,17).
What are the key properties of 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid?
1-(4-fluoroanilino)cyclohexane-1-carboxylic acid has a molecular weight of 237.27 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoroanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 2759069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).