4-[4-(trifluoromethyl)phenyl]butan-2-imine

C11H12F3N — CID 91378279

IUPAC4-[4-(trifluoromethyl)phenyl]butan-2-imine
SMILES[H]/N=C(\C)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-7,15H,2-3H2,1H3/b15-8+
InChIKeyUXYVTJKAEPOGIF-OVCLIPMQSA-N
MW215.22 g/mol
LogP3.68
Rot. Bonds3

About 4-[4-(trifluoromethyl)phenyl]butan-2-imine

4-[4-(trifluoromethyl)phenyl]butan-2-imine (PubChem CID 91378279) has the molecular formula C11H12F3N and a molecular weight of 215.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenyl]butan-2-imine.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenyl]butan-2-imine
PubChem CID91378279
Molecular FormulaC11H12F3N
Molecular Weight215.22 g/mol
Exact Mass215.09
IUPAC Name4-[4-(trifluoromethyl)phenyl]butan-2-imine
SMILES[H]/N=C(\C)CCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H12F3N/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-7,15H,2-3H2,1H3/b15-8+
InChIKeyUXYVTJKAEPOGIF-OVCLIPMQSA-N
XLogP3.68
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(trifluoromethyl)phenyl]ethanimidamide
CID 5014974
1-methyl-4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzene
CID 20686233
[3-(3-iminobutyl)phenyl]methanamine
CID 157053847
2-methyl-5-[4-(trifluoromethyl)phenyl]pentan-2-ol
CID 46209743
1-[4-(trifluoromethyl)phenyl]heptan-4-one
CID 64522928
4-phenyl-1-[4-(trifluoromethyl)phenyl]butan-2-one
CID 62115398
4-(5-ethyl-2-methylphenyl)butan-2-imine
CID 137467922
4-[4-(trifluoromethyl)phenyl]butanoyl chloride
CID 165349049
2-methyl-4-[4-(trifluoromethyl)phenyl]butan-1-ol
CID 64666701
5-[4-(trifluoromethyl)phenyl]pentanamide
CID 162568096
1-tetradecyl-4-(trifluoromethyl)benzene
CID 15527477
4-[2-[4-(trifluoromethyl)phenyl]ethyl]benzoic acid
CID 151091518

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenyl]butan-2-imine?
The IUPAC name of 4-[4-(trifluoromethyl)phenyl]butan-2-imine (CID 91378279) is 4-[4-(trifluoromethyl)phenyl]butan-2-imine.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenyl]butan-2-imine?
The canonical SMILES for 4-[4-(trifluoromethyl)phenyl]butan-2-imine is [H]/N=C(\C)CCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenyl]butan-2-imine?
The InChIKey is UXYVTJKAEPOGIF-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H12F3N/c1-8(15)2-3-9-4-6-10(7-5-9)11(12,13)14/h4-7,15H,2-3H2,1H3/b15-8+.
What are the key properties of 4-[4-(trifluoromethyl)phenyl]butan-2-imine?
4-[4-(trifluoromethyl)phenyl]butan-2-imine has a molecular weight of 215.22 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenyl]butan-2-imine is sourced from PubChem (CID 91378279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).