1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine

C11H10F3N — CID 19379984

IUPAC1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine
SMILESFC(F)=C(F)CC/N=C/c1ccccc1
InChIInChI=1S/C11H10F3N/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b15-8+
InChIKeyXHHVTRDRWCYMSN-OVCLIPMQSA-N
MW213.20 g/mol
LogP3.57
Rot. Bonds4

About 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine

1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine (PubChem CID 19379984) has the molecular formula C11H10F3N and a molecular weight of 213.20 g/mol. Its IUPAC name is 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine.

Molecular Properties

Compound Name1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine
PubChem CID19379984
Molecular FormulaC11H10F3N
Molecular Weight213.20 g/mol
Exact Mass213.08
IUPAC Name1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine
SMILESFC(F)=C(F)CC/N=C/c1ccccc1
InChIInChI=1S/C11H10F3N/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b15-8+
InChIKeyXHHVTRDRWCYMSN-OVCLIPMQSA-N
XLogP3.57
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine?
The IUPAC name of 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine (CID 19379984) is 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine.
What is the SMILES notation for 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine?
The canonical SMILES for 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine is FC(F)=C(F)CC/N=C/c1ccccc1.
What is the InChIKey of 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine?
The InChIKey is XHHVTRDRWCYMSN-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H10F3N/c12-10(11(13)14)6-7-15-8-9-4-2-1-3-5-9/h1-5,8H,6-7H2/b15-8+.
What are the key properties of 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine?
1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine has a molecular weight of 213.20 g/mol, XLogP of 3.57, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-(3,4,4-trifluorobut-3-enyl)methanimine is sourced from PubChem (CID 19379984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).