2,2,2-trifluoro-N-phenylethanimine

C8H6F3N — CID 86178154

IUPAC2,2,2-trifluoro-N-phenylethanimine
SMILESFC(F)(F)/C=N/c1ccccc1
InChIInChI=1S/C8H6F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-6H/b12-6+
InChIKeyMEVVSFKFSGQPSA-WUXMJOGZSA-N
MW173.14 g/mol
LogP2.95
Rot. Bonds1

About 2,2,2-trifluoro-N-phenylethanimine

2,2,2-trifluoro-N-phenylethanimine (PubChem CID 86178154) has the molecular formula C8H6F3N and a molecular weight of 173.14 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-phenylethanimine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-phenylethanimine
PubChem CID86178154
Molecular FormulaC8H6F3N
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name2,2,2-trifluoro-N-phenylethanimine
SMILESFC(F)(F)/C=N/c1ccccc1
InChIInChI=1S/C8H6F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-6H/b12-6+
InChIKeyMEVVSFKFSGQPSA-WUXMJOGZSA-N
XLogP2.95
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 52.95
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-N-phenylacetimidoyl Chloride
CID 10058869
N-Heptylidenebenzenamine
CID 107536
N,N'-Propanediylidenedianiline
CID 111090
Benzenamine, N-butylidene-
CID 94851
(Z)-2,2,2-trifluoro-N-(4-fluorophenyl)ethanecarbonimidoyl chloride
CID 10036625
Ethanimidamide, 2,2,2-trifluoro-N-phenyl-
CID 251416
(1E)-2,2,3,3,4,4,4-Heptafluoro-N-phenylbutan-1-imine
CID 71382954
N-Methylenebenzenamine
CID 66014
N-Ethylidenebenzenamine
CID 95796
Benzenamine, N-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]-
CID 10977588
N-phenylbis(trifluoromethyl)ketenimine
CID 12567449
1,1-difluoro-N-phenylmethanimine
CID 12699871

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-phenylethanimine?
The IUPAC name of 2,2,2-trifluoro-N-phenylethanimine (CID 86178154) is 2,2,2-trifluoro-N-phenylethanimine.
What is the SMILES notation for 2,2,2-trifluoro-N-phenylethanimine?
The canonical SMILES for 2,2,2-trifluoro-N-phenylethanimine is FC(F)(F)/C=N/c1ccccc1.
What is the InChIKey of 2,2,2-trifluoro-N-phenylethanimine?
The InChIKey is MEVVSFKFSGQPSA-WUXMJOGZSA-N. The full InChI is InChI=1S/C8H6F3N/c9-8(10,11)6-12-7-4-2-1-3-5-7/h1-6H/b12-6+.
What are the key properties of 2,2,2-trifluoro-N-phenylethanimine?
2,2,2-trifluoro-N-phenylethanimine has a molecular weight of 173.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-phenylethanimine is sourced from PubChem (CID 86178154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).