1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine

C6H9F2N — CID 164958696

IUPAC1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine
SMILESC/C=C/N=C(\C)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h3-4,6H,1-2H3/b4-3+,9-5+
InChIKeyBNKUFUSGYNHPAM-PRKJJMSOSA-N
MW133.14 g/mol
LogP2.25
Rot. Bonds2

About 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine

1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine (PubChem CID 164958696) has the molecular formula C6H9F2N and a molecular weight of 133.14 g/mol. Its IUPAC name is 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine.

Molecular Properties

Compound Name1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine
PubChem CID164958696
Molecular FormulaC6H9F2N
Molecular Weight133.14 g/mol
Exact Mass133.07
IUPAC Name1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine
SMILESC/C=C/N=C(\C)C(F)F
InChIInChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h3-4,6H,1-2H3/b4-3+,9-5+
InChIKeyBNKUFUSGYNHPAM-PRKJJMSOSA-N
XLogP2.25
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.14
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,1,3,3,3-hexafluoro-N-[(E)-prop-1-enyl]propan-2-imine
CID 134891490
N-ethenyl-1,1,1-trifluoropropan-2-imine
CID 118668896
2-N-methyl-1-N-(3,3,3-trifluoroprop-1-enyl)propane-1,2-diimine
CID 123146304
N-(2-fluoroprop-1-enyl)propan-2-imine
CID 123753423
N-[(Z)-prop-1-enyl]ethanimidoyl fluoride
CID 129055348
1,1,1-trifluoro-N-[(Z)-prop-1-enyl]propan-2-imine
CID 143380031
N-[(Z)-prop-1-enyl]prop-2-enimidoyl fluoride
CID 143915091
N-[(1E)-2-fluorobuta-1,3-dienyl]propan-2-imine
CID 144406111
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
N-[(Z)-2-fluoroprop-1-enyl]propan-2-imine
CID 145271369
1,1-difluoro-N-[(Z)-2-(methylideneamino)prop-1-enyl]propan-2-imine
CID 146506029
1,1,1-trifluoro-N-(2-methylprop-1-enyl)propan-2-imine
CID 147871841

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine?
The IUPAC name of 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine (CID 164958696) is 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine.
What is the SMILES notation for 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine?
The canonical SMILES for 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine is C/C=C/N=C(\C)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine?
The InChIKey is BNKUFUSGYNHPAM-PRKJJMSOSA-N. The full InChI is InChI=1S/C6H9F2N/c1-3-4-9-5(2)6(7)8/h3-4,6H,1-2H3/b4-3+,9-5+.
What are the key properties of 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine?
1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine has a molecular weight of 133.14 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(E)-prop-1-enyl]propan-2-imine is sourced from PubChem (CID 164958696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).