N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine

C12H12F3N — CID 71665450

IUPACN-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC=CC/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N/c1-3-8-16-9(2)10-4-6-11(7-5-10)12(13,14)15/h3-7H,1,8H2,2H3/b16-9+
InChIKeyYICHHIRPHAWEKC-CXUHLZMHSA-N
MW227.23 g/mol
LogP3.70
Rot. Bonds3

About N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine

N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine (PubChem CID 71665450) has the molecular formula C12H12F3N and a molecular weight of 227.23 g/mol. Its IUPAC name is N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine.

Molecular Properties

Compound NameN-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
PubChem CID71665450
Molecular FormulaC12H12F3N
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC NameN-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine
SMILESC=CC/N=C(\C)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C12H12F3N/c1-3-8-16-9(2)10-4-6-11(7-5-10)12(13,14)15/h3-7H,1,8H2,2H3/b16-9+
InChIKeyYICHHIRPHAWEKC-CXUHLZMHSA-N
XLogP3.70
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 68845701
5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539
N-tert-butyl-1-[4-(trifluoromethyl)phenyl]methanimine Oxide
CID 11817416
5-(2,5-difluorophenyl)-3,4-dihydro-2H-pyrrole
CID 58335726
N-(3-Trifluoromethylbenzylidene)methylamine
CID 11019597
CID 5395688
CID 5395688
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
CID 10935569
6-(4-fluorophenyl)-2-methyl-3H-azepine
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N-benzyl-1,1,1-trifluoropropan-2-imine
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Frequently Asked Questions

What is the IUPAC name of N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The IUPAC name of N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine (CID 71665450) is N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine.
What is the SMILES notation for N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The canonical SMILES for N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine is C=CC/N=C(\C)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
The InChIKey is YICHHIRPHAWEKC-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H12F3N/c1-3-8-16-9(2)10-4-6-11(7-5-10)12(13,14)15/h3-7H,1,8H2,2H3/b16-9+.
What are the key properties of N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine?
N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine has a molecular weight of 227.23 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-prop-2-enyl-1-[4-(trifluoromethyl)phenyl]ethanimine is sourced from PubChem (CID 71665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).