4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid

C15H20FNO2 — CID 60993612

IUPAC4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-2-11-7-9-15(10-8-11,14(18)19)17-13-6-4-3-5-12(13)16/h3-6,11,17H,2,7-10H2,1H3,(H,18,19)
InChIKeySHYDNHPIPFNHJZ-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.66
Rot. Bonds4

About 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid

4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid (PubChem CID 60993612) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
PubChem CID60993612
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
SMILESCCC1CCC(Nc2ccccc2F)(C(=O)O)CC1
InChIInChI=1S/C15H20FNO2/c1-2-11-7-9-15(10-8-11,14(18)19)17-13-6-4-3-5-12(13)16/h3-6,11,17H,2,7-10H2,1H3,(H,18,19)
InChIKeySHYDNHPIPFNHJZ-UHFFFAOYSA-N
XLogP3.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.33
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
CID 60993611
3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
4-ethyl-1-(4-methylanilino)cyclohexane-1-carboxylic acid
CID 60992420
4-ethyl-1-[(5-fluoropyrimidin-2-yl)amino]cyclohexane-1-carboxylic acid
CID 113432061
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
1-(2-chloroanilino)-4-ethylcyclohexane-1-carboxamide
CID 54891719
1-(2-methoxyanilino)-4-propylcyclohexane-1-carboxylic acid
CID 60994309
1-(3-bromoanilino)-4-ethylcyclohexane-1-carboxylic acid
CID 60992854
1-(4-chloroanilino)-4-ethylcycloheptane-1-carboxylic acid
CID 65085660
4-ethyl-1-(2-methoxyanilino)cyclohexane-1-carboxamide
CID 60996320
4-methyl-1-(2-methylanilino)cyclohexane-1-carboxylic acid
CID 60992313

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid?
The IUPAC name of 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid (CID 60993612) is 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid is CCC1CCC(Nc2ccccc2F)(C(=O)O)CC1.
What is the InChIKey of 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid?
The InChIKey is SHYDNHPIPFNHJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c1-2-11-7-9-15(10-8-11,14(18)19)17-13-6-4-3-5-12(13)16/h3-6,11,17H,2,7-10H2,1H3,(H,18,19).
What are the key properties of 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid?
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 60993612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).