1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid

C14H18FNO2 — CID 106702511

IUPAC1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
SMILESNc1ccc(F)cc1C1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H18FNO2/c15-10-5-6-12(16)11(9-10)14(13(17)18)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18)
InChIKeyUOBOXHNGIGNKTN-UHFFFAOYSA-N
MW251.30 g/mol
LogP3.08
Rot. Bonds2

About 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid

1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid (PubChem CID 106702511) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
PubChem CID106702511
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid
SMILESNc1ccc(F)cc1C1(C(=O)O)CCCCCC1
InChIInChI=1S/C14H18FNO2/c15-10-5-6-12(16)11(9-10)14(13(17)18)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18)
InChIKeyUOBOXHNGIGNKTN-UHFFFAOYSA-N
XLogP3.08
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(5-fluoro-2-methylphenyl)cyclohexane-1-carboxylic acid
CID 117344962
1-[2-amino-5-(trifluoromethyl)phenyl]cycloheptane-1-carboxylic acid
CID 106702526
1-(2-chloro-5-fluorophenyl)cyclopentane-1-carboxylic acid
CID 82622172
1-(2-amino-5-nitrophenyl)cyclohexane-1-carboxylic acid
CID 106702474
1-(2-aminophenyl)cyclohexane-1-carboxylic acid
CID 106702481
1-(4-fluoro-2-formylphenyl)cyclohexane-1-carboxylic acid
CID 117378661
1-(5-fluoro-2-methylsulfanylphenyl)cyclopentane-1-carboxylic acid
CID 117389251
1-(2-bromo-5-fluorophenyl)cyclobutane-1-carboxylic acid
CID 117434876
1-(2-cyclobutyloxy-5-fluorophenyl)cyclohexane-1-carboxylic acid
CID 117472089
1-(5-fluoro-2-piperidin-1-ylphenyl)cyclobutane-1-carboxylic acid
CID 117444326
1-[2-fluoro-5-(4-fluorophenyl)phenyl]cyclopentane-1-carboxylic acid
CID 117486987
tert-butyl 1-(2-amino-5-fluorophenyl)cyclopropane-1-carboxylate
CID 177077160

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid?
The IUPAC name of 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid (CID 106702511) is 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid is Nc1ccc(F)cc1C1(C(=O)O)CCCCCC1.
What is the InChIKey of 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid?
The InChIKey is UOBOXHNGIGNKTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c15-10-5-6-12(16)11(9-10)14(13(17)18)7-3-1-2-4-8-14/h5-6,9H,1-4,7-8,16H2,(H,17,18).
What are the key properties of 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid?
1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid has a molecular weight of 251.30 g/mol, XLogP of 3.08, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-fluorophenyl)cycloheptane-1-carboxylic acid is sourced from PubChem (CID 106702511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).