N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine

C7H11F2N — CID 173467536

IUPACN-[(E)-1,3-difluorobut-1-enyl]propan-1-imine
SMILESCCC=N/C(F)=C\C(C)F
InChIInChI=1S/C7H11F2N/c1-3-4-10-7(9)5-6(2)8/h4-6H,3H2,1-2H3/b7-5-,10-4?
InChIKeyZUJZIXNBDFSXJP-MKTAXQDUSA-N
MW147.17 g/mol
LogP2.64
Rot. Bonds3

About N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine

N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine (PubChem CID 173467536) has the molecular formula C7H11F2N and a molecular weight of 147.17 g/mol. Its IUPAC name is N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine.

Molecular Properties

Compound NameN-[(E)-1,3-difluorobut-1-enyl]propan-1-imine
PubChem CID173467536
Molecular FormulaC7H11F2N
Molecular Weight147.17 g/mol
Exact Mass147.09
IUPAC NameN-[(E)-1,3-difluorobut-1-enyl]propan-1-imine
SMILESCCC=N/C(F)=C\C(C)F
InChIInChI=1S/C7H11F2N/c1-3-4-10-7(9)5-6(2)8/h4-6H,3H2,1-2H3/b7-5-,10-4?
InChIKeyZUJZIXNBDFSXJP-MKTAXQDUSA-N
XLogP2.64
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.17
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[(Z)-1,2-difluoroethenyl]pentan-1-imine
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N-[(Z)-4,4,4-trifluorobut-1-enyl]ethanimine
CID 118668915
N-(1-fluoroprop-1-enyl)ethanimine
CID 123583069
N-(1-fluoroprop-1-enyl)propan-1-imine
CID 123958310
(1Z,3Z,5E)-2,5-difluoro-7-methyl-2,7-dihydro-1,4-diazocine
CID 142136549
N-[(E)-2,4-difluorobut-3-enyl]propan-1-imine
CID 144060430
3,6-Difluoro-3,4-dihydropyridine
CID 156184120
2-[(Z)-1-fluoro-3-methylbut-1-enyl]imino-N-methylethanimidoyl fluoride
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CID 174073276

Frequently Asked Questions

What is the IUPAC name of N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine?
The IUPAC name of N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine (CID 173467536) is N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine.
What is the SMILES notation for N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine?
The canonical SMILES for N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine is CCC=N/C(F)=C\C(C)F.
What is the InChIKey of N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine?
The InChIKey is ZUJZIXNBDFSXJP-MKTAXQDUSA-N. The full InChI is InChI=1S/C7H11F2N/c1-3-4-10-7(9)5-6(2)8/h4-6H,3H2,1-2H3/b7-5-,10-4?.
What are the key properties of N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine?
N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine has a molecular weight of 147.17 g/mol, XLogP of 2.64, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-1,3-difluorobut-1-enyl]propan-1-imine is sourced from PubChem (CID 173467536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).