(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine

C8H5ClF3N — CID 12653243

IUPAC(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)/C(=N\Cl)c1ccccc1
InChIInChI=1S/C8H5ClF3N/c9-13-7(8(10,11)12)6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeySMNSVPSNGNPGKH-QPEQYQDCSA-N
MW207.58 g/mol
LogP3.19
Rot. Bonds1

About (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine

(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine (PubChem CID 12653243) has the molecular formula C8H5ClF3N and a molecular weight of 207.58 g/mol. Its IUPAC name is (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine.

Molecular Properties

Compound Name(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine
PubChem CID12653243
Molecular FormulaC8H5ClF3N
Molecular Weight207.58 g/mol
Exact Mass207.01
IUPAC Name(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine
SMILESFC(F)(F)/C(=N\Cl)c1ccccc1
InChIInChI=1S/C8H5ClF3N/c9-13-7(8(10,11)12)6-4-2-1-3-5-6/h1-5H/b13-7-
InChIKeySMNSVPSNGNPGKH-QPEQYQDCSA-N
XLogP3.19
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.58
LogP ≤ 53.19
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

2,2,2-Trifluoro-1-phenylethan-1-imine
CID 12219781
N-(2,2,2-trifluoro-1-phenylethylidene)hydroxylamine
CID 6537078
Benzene, (1-diazo-2,2,2-trifluoroethyl)-
CID 11830127
(E)-2,2,2-trifluoro-1-phenyl-N-trimethylsilylethanimine
CID 58611152
Ethanamine, N-(diphenylmethylene)-2,2,2-trifluoro-
CID 10869109
2-Phenyl-3,3-bis(trifluoromethyl)azirine
CID 13592965
(Z)-N-fluorobenzenecarboximidoyl cyanide
CID 23234015
1,1-diphenyl-N-(trifluoromethylsulfanyl)methanimine
CID 101895384
2,2,2-Trifluoro-1-phenylethanone oxime
CID 604931
1,1,1-Trifluoro-3-phenylacetone oxime
CID 6373975
2,2,2-Trifluoro-1-(p-tolyl)ethanone oxime
CID 11579322
1-(4-Methylphenyl)-1-diazo-2,2,2-trifluoroethane
CID 14874565

Frequently Asked Questions

What is the IUPAC name of (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine?
The IUPAC name of (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine (CID 12653243) is (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine.
What is the SMILES notation for (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine?
The canonical SMILES for (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine is FC(F)(F)/C(=N\Cl)c1ccccc1.
What is the InChIKey of (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine?
The InChIKey is SMNSVPSNGNPGKH-QPEQYQDCSA-N. The full InChI is InChI=1S/C8H5ClF3N/c9-13-7(8(10,11)12)6-4-2-1-3-5-6/h1-5H/b13-7-.
What are the key properties of (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine?
(Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine has a molecular weight of 207.58 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N-chloro-2,2,2-trifluoro-1-phenylethanimine is sourced from PubChem (CID 12653243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).