1-(2-fluoroanilino)cyclooctane-1-carboxylic acid

C15H20FNO2 — CID 60993611

IUPAC1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2F)CCCCCCC1
InChIInChI=1S/C15H20FNO2/c16-12-8-4-5-9-13(12)17-15(14(18)19)10-6-2-1-3-7-11-15/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyVTJOYICMOHZVLO-UHFFFAOYSA-N
MW265.33 g/mol
LogP3.81
Rot. Bonds3

About 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid

1-(2-fluoroanilino)cyclooctane-1-carboxylic acid (PubChem CID 60993611) has the molecular formula C15H20FNO2 and a molecular weight of 265.33 g/mol. Its IUPAC name is 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
PubChem CID60993611
Molecular FormulaC15H20FNO2
Molecular Weight265.33 g/mol
Exact Mass265.15
IUPAC Name1-(2-fluoroanilino)cyclooctane-1-carboxylic acid
SMILESO=C(O)C1(Nc2ccccc2F)CCCCCCC1
InChIInChI=1S/C15H20FNO2/c16-12-8-4-5-9-13(12)17-15(14(18)19)10-6-2-1-3-7-11-15/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,18,19)
InChIKeyVTJOYICMOHZVLO-UHFFFAOYSA-N
XLogP3.81
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 ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-(2-fluoroanilino)cyclohexane-1-carboxylate
CID 7158135
1-(2-bromoanilino)cyclohexane-1-carboxylic acid
CID 60992832
1-(2-chloroanilino)cycloheptane-1-carboxylic acid
CID 60990839
4-ethyl-1-(2-fluoroanilino)cyclohexane-1-carboxylic acid
CID 60993612
4-(2-fluoroanilino)-1-propan-2-ylpiperidine-4-carboxylic acid
CID 60994611
1-(2-carbamoylanilino)cyclohexane-1-carboxylic acid
CID 61291221
1-(2-sulfamoylanilino)cyclohexane-1-carboxylic acid
CID 61292362
1-(2-bromoanilino)cyclobutane-1-carboxylic acid
CID 62389463
1-(2-fluoroanilino)-2,2-dimethylcyclopentane-1-carboxylic acid
CID 79857270
3-(2-fluoroanilino)-8-methyl-8-azabicyclo[3.2.1]octane-3-carboxylic acid
CID 60993756
3-ethoxy-1-(2-fluoroanilino)cyclobutane-1-carboxylic acid
CID 106822653
1-[(2,3-difluorophenyl)carbamoylamino]cyclopentane-1-carboxylic acid
CID 61208643

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid?
The IUPAC name of 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid (CID 60993611) is 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid.
What is the SMILES notation for 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid?
The canonical SMILES for 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid is O=C(O)C1(Nc2ccccc2F)CCCCCCC1.
What is the InChIKey of 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid?
The InChIKey is VTJOYICMOHZVLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO2/c16-12-8-4-5-9-13(12)17-15(14(18)19)10-6-2-1-3-7-11-15/h4-5,8-9,17H,1-3,6-7,10-11H2,(H,18,19).
What are the key properties of 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid?
1-(2-fluoroanilino)cyclooctane-1-carboxylic acid has a molecular weight of 265.33 g/mol, XLogP of 3.81, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroanilino)cyclooctane-1-carboxylic acid is sourced from PubChem (CID 60993611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).