2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

C7H9F2N — CID 155402733

IUPAC2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)C(F)F
InChIInChI=1S/C7H9F2N/c1-3-4-10-5-6(2)7(8)9/h3-5,7H,2H2,1H3/b4-3-,10-5+
InChIKeyZATVBYJPZLVFSG-DXWLQBKVSA-N
MW145.15 g/mol
LogP2.41
Rot. Bonds3

About 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine

2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (PubChem CID 155402733) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.

Molecular Properties

Compound Name2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
PubChem CID155402733
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine
SMILESC=C(/C=N/C=C\C)C(F)F
InChIInChI=1S/C7H9F2N/c1-3-4-10-5-6(2)7(8)9/h3-5,7H,2H2,1H3/b4-3-,10-5+
InChIKeyZATVBYJPZLVFSG-DXWLQBKVSA-N
XLogP2.41
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.41
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 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The IUPAC name of 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine (CID 155402733) is 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine.
What is the SMILES notation for 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The canonical SMILES for 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is C=C(/C=N/C=C\C)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
The InChIKey is ZATVBYJPZLVFSG-DXWLQBKVSA-N. The full InChI is InChI=1S/C7H9F2N/c1-3-4-10-5-6(2)7(8)9/h3-5,7H,2H2,1H3/b4-3-,10-5+.
What are the key properties of 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine?
2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine has a molecular weight of 145.15 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-N-[(Z)-prop-1-enyl]prop-2-en-1-imine is sourced from PubChem (CID 155402733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).