N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine

C14H11ClFN — CID 174634496

IUPACN-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
SMILESFC/C(=N\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClFN/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9H,10H2/b17-14+
InChIKeyPSTBUVNERSYYTK-SAPNQHFASA-N
MW247.70 g/mol
LogP4.43
Rot. Bonds3

About N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine

N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine (PubChem CID 174634496) has the molecular formula C14H11ClFN and a molecular weight of 247.70 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
PubChem CID174634496
Molecular FormulaC14H11ClFN
Molecular Weight247.70 g/mol
Exact Mass247.06
IUPAC NameN-(4-chlorophenyl)-2-fluoro-1-phenylethanimine
SMILESFC/C(=N\c1ccc(Cl)cc1)c1ccccc1
InChIInChI=1S/C14H11ClFN/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9H,10H2/b17-14+
InChIKeyPSTBUVNERSYYTK-SAPNQHFASA-N
XLogP4.43
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(4-chlorophenyl)imino-1,3-diphenylpropan-1-one
CID 71346027
1-(4-chlorophenyl)-N,1-diphenylmethanimine
CID 2803926
2-phenyl-2-phenyliminoethanamine
CID 118895747
4-N-(4-chlorophenyl)-2-N-phenylpentane-2,4-diimine
CID 126613651
(NE)-N-[2-(4-chlorophenyl)sulfanyl-1-phenylethylidene]hydroxylamine
CID 6283022
N'-(4-chlorophenyl)-2-phenylethanimidamide
CID 10977705
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
4-[[(4-chlorophenyl)-phenylmethylidene]amino]-N,N-dimethylaniline
CID 56850221
N,1-diphenylbut-3-en-1-imine
CID 12676193
N'-(4-chlorophenyl)-N-(2,4,6-triphenylpyridin-1-ium-1-yl)benzenecarboximidamide tetrafluoroborate
CID 12915384
1-(4-chlorophenyl)-3-hydroxyimino-3-phenylpropan-1-ol
CID 85437581
1,1,3-triphenyl-3-phenyliminopropan-1-ol
CID 20870790

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine?
The IUPAC name of N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine (CID 174634496) is N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine.
What is the SMILES notation for N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine?
The canonical SMILES for N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine is FC/C(=N\c1ccc(Cl)cc1)c1ccccc1.
What is the InChIKey of N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine?
The InChIKey is PSTBUVNERSYYTK-SAPNQHFASA-N. The full InChI is InChI=1S/C14H11ClFN/c15-12-6-8-13(9-7-12)17-14(10-16)11-4-2-1-3-5-11/h1-9H,10H2/b17-14+.
What are the key properties of N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine?
N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine has a molecular weight of 247.70 g/mol, XLogP of 4.43, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-fluoro-1-phenylethanimine is sourced from PubChem (CID 174634496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).