2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine

C11H12Cl2FN — CID 102322180

IUPAC2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(\c1ccccc1)C(F)(Cl)Cl
InChIInChI=1S/C11H12Cl2FN/c1-8(2)15-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3/b15-10+
InChIKeyMOHNWVGDCOUULO-XNTDXEJSSA-N
MW248.13 g/mol
LogP3.98
Rot. Bonds3

About 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine

2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine (PubChem CID 102322180) has the molecular formula C11H12Cl2FN and a molecular weight of 248.13 g/mol. Its IUPAC name is 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine.

Molecular Properties

Compound Name2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
PubChem CID102322180
Molecular FormulaC11H12Cl2FN
Molecular Weight248.13 g/mol
Exact Mass247.03
IUPAC Name2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine
SMILESCC(C)/N=C(\c1ccccc1)C(F)(Cl)Cl
InChIInChI=1S/C11H12Cl2FN/c1-8(2)15-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3/b15-10+
InChIKeyMOHNWVGDCOUULO-XNTDXEJSSA-N
XLogP3.98
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.13
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2,2-trifluoro-1-phenyl-N-[(1R)-1-phenylethyl]ethanimine
CID 11323391
N-propan-2-ylbenzenecarboximidoyl chloride
CID 7131025
(2,2-dichloro-1,3-diphenyl-3-propan-2-yliminopropyl) methanesulfonate
CID 10525822
2-fluoro-1-phenyl-N-propan-2-ylethanimine
CID 101419520
(NZ)-N-(2,2,2-trichloro-1-phenylethylidene)hydroxylamine
CID 170909172
[(E)-1,3,3,3-tetrafluoro-1-propan-2-yloxyprop-1-en-2-yl]benzene
CID 10729195
N-methyl-N-[(Z)-(2,2,2-trifluoro-1-phenylethylidene)amino]methanamine
CID 138963203
1-phenyl-N-propan-2-yl-1-pyridin-1-ium-1-ylmethanimine
CID 122219505
2,2,2-trifluoro-N-[(1R)-1-phenylethyl]ethanimidoyl chloride
CID 10966483
(1,1-dichloro-3,3,3-trifluoroprop-1-en-2-yl)benzene
CID 11770583
2,2,2-trifluoro-1-phenyl-N-(2-phenylethyl)ethanimine
CID 10912810
[(2,2,2-trifluoro-1-phenylethylidene)amino] trichloromethanesulfonate
CID 87526373

Frequently Asked Questions

What is the IUPAC name of 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The IUPAC name of 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine (CID 102322180) is 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine.
What is the SMILES notation for 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The canonical SMILES for 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine is CC(C)/N=C(\c1ccccc1)C(F)(Cl)Cl.
What is the InChIKey of 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine?
The InChIKey is MOHNWVGDCOUULO-XNTDXEJSSA-N. The full InChI is InChI=1S/C11H12Cl2FN/c1-8(2)15-10(11(12,13)14)9-6-4-3-5-7-9/h3-8H,1-2H3/b15-10+.
What are the key properties of 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine?
2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine has a molecular weight of 248.13 g/mol, XLogP of 3.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dichloro-2-fluoro-1-phenyl-N-propan-2-ylethanimine is sourced from PubChem (CID 102322180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).