2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline

C15H12F2N2 — CID 6903041

IUPAC2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
SMILESFc1ccc(N/N=C/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C15H12F2N2/c16-13-8-9-15(14(17)11-13)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H/b7-4+,18-10+
InChIKeyQYWLVYZVXVHABE-UOMISXDJSA-N
MW258.27 g/mol
LogP4.08
Rot. Bonds4

About 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline

2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline (PubChem CID 6903041) has the molecular formula C15H12F2N2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline.

Molecular Properties

Compound Name2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
PubChem CID6903041
Molecular FormulaC15H12F2N2
Molecular Weight258.27 g/mol
Exact Mass258.10
IUPAC Name2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline
SMILESFc1ccc(N/N=C/C=C/c2ccccc2)c(F)c1
InChIInChI=1S/C15H12F2N2/c16-13-8-9-15(14(17)11-13)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H/b7-4+,18-10+
InChIKeyQYWLVYZVXVHABE-UOMISXDJSA-N
XLogP4.08
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2,4-difluoro-N-[(Z)-[(2R)-2-phenylpropylidene]amino]aniline
CID 9058434
N-[(3-chlorophenyl)methylideneamino]-2,4-difluoroaniline
CID 5195808
2,4-difluoro-N-(pyridin-3-ylmethylideneamino)aniline
CID 3482722
N-[(4-bromophenyl)methylideneamino]-2,4-difluoroaniline
CID 4218945
4-N-[(E)-[(Z)-3-phenylprop-2-enylidene]amino]-1-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]phthalazine-1,4-diamine
CID 92534193
2,6-dibromo-4-[(E)-[(2,4-difluorophenyl)hydrazinylidene]methyl]phenol
CID 135548670
2,7-dimethyl-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinolin-4-amine
CID 45481257
3,5,6-trichloro-N-(cinnamylideneamino)pyridin-2-amine
CID 3908635
1,3-bis(cinnamylideneamino)urea
CID 2823909
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
5-chloro-4-(2-cinnamylidenehydrazinyl)-1H-pyridazin-6-one
CID 3253197
N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]-2H-tetrazol-5-amine
CID 6894212

Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline?
The IUPAC name of 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline (CID 6903041) is 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline.
What is the SMILES notation for 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline?
The canonical SMILES for 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline is Fc1ccc(N/N=C/C=C/c2ccccc2)c(F)c1.
What is the InChIKey of 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline?
The InChIKey is QYWLVYZVXVHABE-UOMISXDJSA-N. The full InChI is InChI=1S/C15H12F2N2/c16-13-8-9-15(14(17)11-13)19-18-10-4-7-12-5-2-1-3-6-12/h1-11,19H/b7-4+,18-10+.
What are the key properties of 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline?
2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline has a molecular weight of 258.27 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-N-[(E)-[(E)-3-phenylprop-2-enylidene]amino]aniline is sourced from PubChem (CID 6903041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).