4-(4-amino-2-fluorophenyl)but-3-enoic acid

C10H10FNO2 — CID 170483256

IUPAC4-(4-amino-2-fluorophenyl)but-3-enoic acid
SMILESNc1ccc(C=CCC(=O)O)c(F)c1
InChIInChI=1S/C10H10FNO2/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H,13,14)
InChIKeyZICJELRFELUREG-UHFFFAOYSA-N
MW195.19 g/mol
LogP1.90
Rot. Bonds3

About 4-(4-amino-2-fluorophenyl)but-3-enoic acid

4-(4-amino-2-fluorophenyl)but-3-enoic acid (PubChem CID 170483256) has the molecular formula C10H10FNO2 and a molecular weight of 195.19 g/mol. Its IUPAC name is 4-(4-amino-2-fluorophenyl)but-3-enoic acid.

Molecular Properties

Compound Name4-(4-amino-2-fluorophenyl)but-3-enoic acid
PubChem CID170483256
Molecular FormulaC10H10FNO2
Molecular Weight195.19 g/mol
Exact Mass195.07
IUPAC Name4-(4-amino-2-fluorophenyl)but-3-enoic acid
SMILESNc1ccc(C=CCC(=O)O)c(F)c1
InChIInChI=1S/C10H10FNO2/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H,13,14)
InChIKeyZICJELRFELUREG-UHFFFAOYSA-N
XLogP1.90
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 ≤ 51.90
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

3-(4-amino-2-fluorophenyl)prop-2-en-1-ol
CID 169453035
S-[3-(4-amino-2-fluorophenyl)prop-2-enyl] ethanethioate
CID 169456877
4-(4-amino-2,3-difluorophenyl)but-3-enoic acid
CID 170483621
4-(2,3,4-trifluorophenyl)but-3-enoic acid
CID 170483379
(E)-4-(2,5-difluorophenyl)but-3-enoic acid
CID 82282110
4-(5-amino-2-fluorophenyl)but-3-enamide
CID 170797575
4-[2-fluoro-4-(methoxymethoxy)phenyl]but-3-enoic acid
CID 170484049
4-(2-amino-5-chlorophenyl)but-3-enoic acid
CID 91346863
3-amino-4-(3-carboxyprop-1-enyl)benzoic acid
CID 170483977
(E)-4-(2-aminophenyl)but-3-enoic acid
CID 50852404
4-(2,4-dihydroxyphenyl)but-3-enoic acid
CID 170483156
2-(3-carboxyprop-1-enyl)-6-fluorobenzoic acid
CID 170483799

Frequently Asked Questions

What is the IUPAC name of 4-(4-amino-2-fluorophenyl)but-3-enoic acid?
The IUPAC name of 4-(4-amino-2-fluorophenyl)but-3-enoic acid (CID 170483256) is 4-(4-amino-2-fluorophenyl)but-3-enoic acid.
What is the SMILES notation for 4-(4-amino-2-fluorophenyl)but-3-enoic acid?
The canonical SMILES for 4-(4-amino-2-fluorophenyl)but-3-enoic acid is Nc1ccc(C=CCC(=O)O)c(F)c1.
What is the InChIKey of 4-(4-amino-2-fluorophenyl)but-3-enoic acid?
The InChIKey is ZICJELRFELUREG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FNO2/c11-9-6-8(12)5-4-7(9)2-1-3-10(13)14/h1-2,4-6H,3,12H2,(H,13,14).
What are the key properties of 4-(4-amino-2-fluorophenyl)but-3-enoic acid?
4-(4-amino-2-fluorophenyl)but-3-enoic acid has a molecular weight of 195.19 g/mol, XLogP of 1.90, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-amino-2-fluorophenyl)but-3-enoic acid is sourced from PubChem (CID 170483256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).