3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine

C10H5F6N — CID 12567449

IUPAC3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine
SMILESFC(F)(F)C(=C=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H5F6N/c11-9(12,13)8(10(14,15)16)6-17-7-4-2-1-3-5-7/h1-5H
InChIKeyMQEHQSSZUCPCNM-UHFFFAOYSA-N
MW253.15 g/mol
LogP4.04
Rot. Bonds1

About 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine

3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine (PubChem CID 12567449) has the molecular formula C10H5F6N and a molecular weight of 253.15 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine
PubChem CID12567449
Molecular FormulaC10H5F6N
Molecular Weight253.15 g/mol
Exact Mass253.03
IUPAC Name3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine
SMILESFC(F)(F)C(=C=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C10H5F6N/c11-9(12,13)8(10(14,15)16)6-17-7-4-2-1-3-5-7/h1-5H
InChIKeyMQEHQSSZUCPCNM-UHFFFAOYSA-N
XLogP4.04
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.15
LogP ≤ 54.04
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 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine?
The IUPAC name of 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine (CID 12567449) is 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine.
What is the SMILES notation for 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine?
The canonical SMILES for 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine is FC(F)(F)C(=C=Nc1ccccc1)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine?
The InChIKey is MQEHQSSZUCPCNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5F6N/c11-9(12,13)8(10(14,15)16)6-17-7-4-2-1-3-5-7/h1-5H.
What are the key properties of 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine?
3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine has a molecular weight of 253.15 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-phenyl-2-(trifluoromethyl)prop-1-en-1-imine is sourced from PubChem (CID 12567449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).