(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine

C9H7ClF3N — CID 10331112

IUPAC(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine
SMILESFC(F)(F)C(Cl)/N=C/c1ccccc1
InChIInChI=1S/C9H7ClF3N/c10-8(9(11,12)13)14-6-7-4-2-1-3-5-7/h1-6,8H/b14-6+
InChIKeyHLBZDPWBZFLNGX-MKMNVTDBSA-N
MW221.61 g/mol
LogP3.23
Rot. Bonds2

About (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine

(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine (PubChem CID 10331112) has the molecular formula C9H7ClF3N and a molecular weight of 221.61 g/mol. Its IUPAC name is (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine.

Molecular Properties

Compound Name(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine
PubChem CID10331112
Molecular FormulaC9H7ClF3N
Molecular Weight221.61 g/mol
Exact Mass221.02
IUPAC Name(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine
SMILESFC(F)(F)C(Cl)/N=C/c1ccccc1
InChIInChI=1S/C9H7ClF3N/c10-8(9(11,12)13)14-6-7-4-2-1-3-5-7/h1-6,8H/b14-6+
InChIKeyHLBZDPWBZFLNGX-MKMNVTDBSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.61
LogP ≤ 53.23
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'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

Methanamine, N-(phenylmethylene)-
CID 73954
Ethanamine, N-(phenylmethylene)-
CID 111239
N-Benzylidenepropylamine
CID 250250
2-Propen-1-amine, N-(phenylmethylene)-
CID 144271
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
Benzaldehyde, 4-(trifluoromethyl)-, oxime, hydrochloride, (E)-
CID 9588260
CID 5395688
CID 5395688
N-Methyl-4-(trifluoromethyl)benzenemethaneimine
CID 11321394
N-tert-Butyl-4-(trifluoromethyl)benzenemethaneimine
CID 11608305
N-ethyl-1-(4-fluorophenyl)methanimine
CID 12927008
N-butyl-1-(2-fluorophenyl)methanimine
CID 14971156
4-Fluorobenzylidene-butyl-amine
CID 14971157

Frequently Asked Questions

What is the IUPAC name of (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine?
The IUPAC name of (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine (CID 10331112) is (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine.
What is the SMILES notation for (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine?
The canonical SMILES for (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine is FC(F)(F)C(Cl)/N=C/c1ccccc1.
What is the InChIKey of (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine?
The InChIKey is HLBZDPWBZFLNGX-MKMNVTDBSA-N. The full InChI is InChI=1S/C9H7ClF3N/c10-8(9(11,12)13)14-6-7-4-2-1-3-5-7/h1-6,8H/b14-6+.
What are the key properties of (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine?
(E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine has a molecular weight of 221.61 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-(1-chloro-2,2,2-trifluoroethyl)-1-phenylmethanimine is sourced from PubChem (CID 10331112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).