1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine

C11H11F3N2 — CID 152820885

IUPAC1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine
SMILESCC(C=C(N)c1ccccc1)=NC(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-8(16-11(12,13)14)7-10(15)9-5-3-2-4-6-9/h2-7H,15H2,1H3
InChIKeyLUUSSVBVTURAHP-UHFFFAOYSA-N
MW228.22 g/mol
LogP2.97
Rot. Bonds2

About 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine

1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine (PubChem CID 152820885) has the molecular formula C11H11F3N2 and a molecular weight of 228.22 g/mol. Its IUPAC name is 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine.

Molecular Properties

Compound Name1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine
PubChem CID152820885
Molecular FormulaC11H11F3N2
Molecular Weight228.22 g/mol
Exact Mass228.09
IUPAC Name1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine
SMILESCC(C=C(N)c1ccccc1)=NC(F)(F)F
InChIInChI=1S/C11H11F3N2/c1-8(16-11(12,13)14)7-10(15)9-5-3-2-4-6-9/h2-7H,15H2,1H3
InChIKeyLUUSSVBVTURAHP-UHFFFAOYSA-N
XLogP2.97
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.22
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(Z)-4-amino-1,1,1-trifluoro-4-phenylbut-3-en-2-one
CID 5372882
(Z)-4-amino-2-oxo-4-phenylbut-3-enamide
CID 164569875
3-amino-3-phenylprop-2-enethioamide
CID 71410978
2,2,2-trifluoroethyl (Z)-3-amino-3-phenylprop-2-enoate
CID 102048731
(1Z)-4-methyl-1-phenylpenta-1,3-dien-1-amine
CID 143300629
(E)-3,3-dimethyl-1-phenylbut-1-en-1-amine
CID 67619754
(Z)-3-amino-1,3-diphenylprop-2-en-1-one
CID 5376383
methyl (Z)-4-amino-2-oxo-4-phenylbut-3-enoate
CID 13165118
(Z)-3-amino-1-(4-fluorophenyl)-3-phenylprop-2-en-1-one
CID 102206205
sodium;3-amino-1,3-diphenylprop-2-en-1-one;hydride
CID 173426238
(Z)-3-imino-1-phenyl-3-[2-(trifluoromethyl)phenyl]prop-1-en-1-amine
CID 162550833
(Z)-3-butylimino-1,3-diphenylprop-1-en-1-amine
CID 11000397

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine?
The IUPAC name of 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine (CID 152820885) is 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine.
What is the SMILES notation for 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine?
The canonical SMILES for 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine is CC(C=C(N)c1ccccc1)=NC(F)(F)F.
What is the InChIKey of 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine?
The InChIKey is LUUSSVBVTURAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2/c1-8(16-11(12,13)14)7-10(15)9-5-3-2-4-6-9/h2-7H,15H2,1H3.
What are the key properties of 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine?
1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine has a molecular weight of 228.22 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-(trifluoromethylimino)but-1-en-1-amine is sourced from PubChem (CID 152820885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).