1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine

C18H16F3N — CID 10935569

IUPAC1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
SMILESC=CCC(N=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N/c1-2-9-16(18(19,20)21)22-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKeyCVBUMGLMBVZFAS-UHFFFAOYSA-N
MW303.33 g/mol
LogP5.03
Rot. Bonds5

About 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine

1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine (PubChem CID 10935569) has the molecular formula C18H16F3N and a molecular weight of 303.33 g/mol. Its IUPAC name is 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine.

Molecular Properties

Compound Name1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
PubChem CID10935569
Molecular FormulaC18H16F3N
Molecular Weight303.33 g/mol
Exact Mass303.12
IUPAC Name1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine
SMILESC=CCC(N=C(c1ccccc1)c1ccccc1)C(F)(F)F
InChIInChI=1S/C18H16F3N/c1-2-9-16(18(19,20)21)22-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2
InChIKeyCVBUMGLMBVZFAS-UHFFFAOYSA-N
XLogP5.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.33
LogP ≤ 55.03
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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Frequently Asked Questions

What is the IUPAC name of 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine?
The IUPAC name of 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine (CID 10935569) is 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine.
What is the SMILES notation for 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine?
The canonical SMILES for 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine is C=CCC(N=C(c1ccccc1)c1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine?
The InChIKey is CVBUMGLMBVZFAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N/c1-2-9-16(18(19,20)21)22-17(14-10-5-3-6-11-14)15-12-7-4-8-13-15/h2-8,10-13,16H,1,9H2.
What are the key properties of 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine?
1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine has a molecular weight of 303.33 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diphenyl-N-(1,1,1-trifluoropent-4-en-2-yl)methanimine is sourced from PubChem (CID 10935569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).