5-fluoro-2-(prop-2-enylamino)benzoic acid

C10H10FNO2 — CID 63674508

IUPAC5-fluoro-2-(prop-2-enylamino)benzoic acid
SMILESC=CCNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-5-12-9-4-3-7(11)6-8(9)10(13)14/h2-4,6,12H,1,5H2,(H,13,14)
InChIKeyGAQBMJCDEYBPNO-UHFFFAOYSA-N
MW195.19 g/mol
LogP2.12
Rot. Bonds4

About 5-fluoro-2-(prop-2-enylamino)benzoic acid

5-fluoro-2-(prop-2-enylamino)benzoic acid (PubChem CID 63674508) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 5-fluoro-2-(prop-2-enylamino)benzoic acid.

Molecular Properties

Compound Name5-fluoro-2-(prop-2-enylamino)benzoic acid
PubChem CID63674508
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name5-fluoro-2-(prop-2-enylamino)benzoic acid
SMILESC=CCNc1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-5-12-9-4-3-7(11)6-8(9)10(13)14/h2-4,6,12H,1,5H2,(H,13,14)
InChIKeyGAQBMJCDEYBPNO-UHFFFAOYSA-N
XLogP2.12
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-fluoro-2-(3-methylbut-2-enylamino)benzoic acid
CID 106197911
2-(prop-2-enylamino)-5-sulfamoylbenzoic acid
CID 43088442
2-(2,2-dimethylpropylamino)-5-fluorobenzoic acid
CID 63675024
5-fluoro-2-(prop-2-ynylamino)benzoic acid
CID 63674509
4-fluoro-N-prop-2-enyl-2-(trifluoromethylsulfonyl)aniline
CID 62866721
4-fluoro-2-methyl-N-prop-2-enylaniline
CID 62141811
4-fluoro-N,2-bis(prop-2-enyl)aniline
CID 45141264
5-fluoro-2-[(4-methylphenyl)methylamino]benzoic acid
CID 63673662
5-fluoro-2-(2-propan-2-yloxyethylamino)benzoic acid
CID 104765923
5-fluoro-2-(4-methylpentylamino)benzoic acid
CID 63672827
5-fluoro-2-prop-2-enoxybenzoic acid
CID 63674181
5-fluoro-2-(4-hydroxypentylamino)benzoic acid
CID 106137596

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(prop-2-enylamino)benzoic acid?
The IUPAC name of 5-fluoro-2-(prop-2-enylamino)benzoic acid (CID 63674508) is 5-fluoro-2-(prop-2-enylamino)benzoic acid.
What is the SMILES notation for 5-fluoro-2-(prop-2-enylamino)benzoic acid?
The canonical SMILES for 5-fluoro-2-(prop-2-enylamino)benzoic acid is C=CCNc1ccc(F)cc1C(=O)O.
What is the InChIKey of 5-fluoro-2-(prop-2-enylamino)benzoic acid?
The InChIKey is GAQBMJCDEYBPNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-5-12-9-4-3-7(11)6-8(9)10(13)14/h2-4,6,12H,1,5H2,(H,13,14).
What are the key properties of 5-fluoro-2-(prop-2-enylamino)benzoic acid?
5-fluoro-2-(prop-2-enylamino)benzoic acid has a molecular weight of 195.19 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(prop-2-enylamino)benzoic acid is sourced from PubChem (CID 63674508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).