4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline

C9H11FN2 — CID 129289944

IUPAC4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline
SMILESN/C(=C/CF)c1ccc(N)cc1
InChIInChI=1S/C9H11FN2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6,11-12H2/b9-5+
InChIKeyAOUUOYDHPIHVFN-WEVVVXLNSA-N
MW166.20 g/mol
LogP1.54
Rot. Bonds2

About 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline

4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline (PubChem CID 129289944) has the molecular formula C9H11FN2 and a molecular weight of 166.20 g/mol. Its IUPAC name is 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline.

Molecular Properties

Compound Name4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline
PubChem CID129289944
Molecular FormulaC9H11FN2
Molecular Weight166.20 g/mol
Exact Mass166.09
IUPAC Name4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline
SMILESN/C(=C/CF)c1ccc(N)cc1
InChIInChI=1S/C9H11FN2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6,11-12H2/b9-5+
InChIKeyAOUUOYDHPIHVFN-WEVVVXLNSA-N
XLogP1.54
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.20
LogP ≤ 51.54
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

4-[(Z)-1-aminoprop-1-enyl]aniline
CID 145170483
4-amino-4-(4-aminophenyl)but-3-en-2-one
CID 174747423
[amino-(4-aminophenyl)methylidene]azanium
CID 3289295
4-aminobenzenecarbothioic S-acid
CID 18539755
4-amino-N-[[(4-aminobenzoyl)amino]methyl]benzamide
CID 22949694
3-amino-1-(4-aminophenyl)prop-2-en-1-one
CID 70629831
4-aminobenzamide;methanol
CID 144801245
(2-fluoroacetyl) 4-aminobenzoate;titanium
CID 174868980
1-(4-aminophenyl)-2-hydroxyethanone
CID 19755805
benzene-1,4-diamine;methane
CID 158825195
benzene-1,4-diamine;nickel
CID 87271840
(Z)-1-phenylpent-1-en-1-amine
CID 22065568

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline?
The IUPAC name of 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline (CID 129289944) is 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline.
What is the SMILES notation for 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline?
The canonical SMILES for 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline is N/C(=C/CF)c1ccc(N)cc1.
What is the InChIKey of 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline?
The InChIKey is AOUUOYDHPIHVFN-WEVVVXLNSA-N. The full InChI is InChI=1S/C9H11FN2/c10-6-5-9(12)7-1-3-8(11)4-2-7/h1-5H,6,11-12H2/b9-5+.
What are the key properties of 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline?
4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline has a molecular weight of 166.20 g/mol, XLogP of 1.54, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-1-amino-3-fluoroprop-1-enyl]aniline is sourced from PubChem (CID 129289944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).