2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid

C10H10FNO2 — CID 130767258

IUPAC2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
SMILESC=C[C@@H](N)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-9(12)7-4-3-6(11)5-8(7)10(13)14/h2-5,9H,1,12H2,(H,13,14)/t9-/m1/s1
InChIKeyBVEVXOPGCZCIIL-SECBINFHSA-N
MW195.19 g/mol
LogP1.71
Rot. Bonds3

About 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid

2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid (PubChem CID 130767258) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid.

Molecular Properties

Compound Name2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
PubChem CID130767258
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid
SMILESC=C[C@@H](N)c1ccc(F)cc1C(=O)O
InChIInChI=1S/C10H10FNO2/c1-2-9(12)7-4-3-6(11)5-8(7)10(13)14/h2-5,9H,1,12H2,(H,13,14)/t9-/m1/s1
InChIKeyBVEVXOPGCZCIIL-SECBINFHSA-N
XLogP1.71
TPSA63.32 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.19
LogP ≤ 51.71
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

1-(2,4-difluorophenyl)prop-2-en-1-amine
CID 55283550
4-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55295675
2-[(R)-amino(cyclopropyl)methyl]-5-fluorobenzoic acid
CID 131869097
(1R)-1-(2,5-difluorophenyl)prop-2-en-1-amine
CID 55278051
1-(2-chloro-5-fluorophenyl)prop-2-en-1-amine
CID 55271189
3-(1-aminoprop-2-enyl)-2-hydroxybenzoic acid
CID 70184643
2-(1-aminoprop-2-enyl)-3-fluorobenzoic acid
CID 55297833
1-(4-fluoro-2-methoxyphenyl)prop-2-en-1-amine
CID 55282422
5-fluoro-2-(4-oxobutan-2-yl)benzoic acid
CID 117300012
(1S)-1-(2-bromo-5-fluorophenyl)prop-2-en-1-amine;hydrochloride
CID 171222200
2-(4-amino-1,2-dihydroxybutyl)-5-fluorobenzoic acid
CID 171881539
2-(3-bromo-1,2-dihydroxypropyl)-5-fluorobenzoic acid
CID 171860264

Frequently Asked Questions

What is the IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid?
The IUPAC name of 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid (CID 130767258) is 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid.
What is the SMILES notation for 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid?
The canonical SMILES for 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid is C=C[C@@H](N)c1ccc(F)cc1C(=O)O.
What is the InChIKey of 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid?
The InChIKey is BVEVXOPGCZCIIL-SECBINFHSA-N. The full InChI is InChI=1S/C10H10FNO2/c1-2-9(12)7-4-3-6(11)5-8(7)10(13)14/h2-5,9H,1,12H2,(H,13,14)/t9-/m1/s1.
What are the key properties of 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid?
2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.71, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R)-1-aminoprop-2-enyl]-5-fluorobenzoic acid is sourced from PubChem (CID 130767258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).