1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid

C15H20FNO2 — CID 64752284

IUPAC1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)CC(Nc2cccc(F)c2)(C(=O)O)C1
InChIInChI=1S/C15H20FNO2/c1-10-6-11(2)9-15(8-10,14(18)19)17-13-5-3-4-12(16)7-13/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyVFTDNADWEAVURN-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.52
Rot. Bonds3

About 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid

1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid (PubChem CID 64752284) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
PubChem CID64752284
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
SMILESCC1CC(C)CC(Nc2cccc(F)c2)(C(=O)O)C1
InChIInChI=1S/C15H20FNO2/c1-10-6-11(2)9-15(8-10,14(18)19)17-13-5-3-4-12(16)7-13/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,18,19)
InChIKeyVFTDNADWEAVURN-UHFFFAOYSA-N
XLogP3.52
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-fluoroanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64514036
1-(3-fluoroanilino)-4-methylcycloheptane-1-carboxylic acid
CID 65084949
1-(4-fluoroanilino)-3-methylcyclobutane-1-carboxylic acid
CID 103563450
1-(4-bromoanilino)-3,5-dimethylcyclohexane-1-carboxylic acid
CID 64752863
ethyl 1-(3-fluoroanilino)-3-methylcyclohexane-1-carboxylate
CID 60993314
1-(3-bromoanilino)-3,3,5-trimethylcyclohexane-1-carboxylic acid
CID 60992999
1-(3-methoxyanilino)-3-methylcyclopentane-1-carboxylic acid
CID 64513111
3-methyl-1-(3-methylanilino)cyclohexane-1-carboxylic acid
CID 60993631
3-(3-fluoroanilino)bicyclo[1.1.1]pentane-1-carboxylic acid
CID 171099883
methyl 1-(3-fluoroanilino)cyclobutane-1-carboxylate
CID 62389643
methyl 1-(3-fluoroanilino)cyclopentane-1-carboxylate
CID 54890364
1-(4-fluoroanilino)-3-methylcyclohexane-1-carboxylic acid
CID 60991952

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid?
The IUPAC name of 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid (CID 64752284) is 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid?
The canonical SMILES for 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid is CC1CC(C)CC(Nc2cccc(F)c2)(C(=O)O)C1.
What is the InChIKey of 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid?
The InChIKey is VFTDNADWEAVURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-10-6-11(2)9-15(8-10,14(18)19)17-13-5-3-4-12(16)7-13/h3-5,7,10-11,17H,6,8-9H2,1-2H3,(H,18,19).
What are the key properties of 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid?
1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.52, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoroanilino)-3,5-dimethylcyclohexane-1-carboxylic acid is sourced from PubChem (CID 64752284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).