N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine

C7H9F2N — CID 156740840

IUPACN-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine
SMILESC=C/N=C(\C(=C)C)C(F)F
InChIInChI=1S/C7H9F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-2H2,3H3/b10-6+
InChIKeyRCFGDDDGSZZFSQ-UXBLZVDNSA-N
MW145.15 g/mol
LogP2.41
Rot. Bonds3

About N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine

N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine (PubChem CID 156740840) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine.

Molecular Properties

Compound NameN-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine
PubChem CID156740840
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC NameN-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine
SMILESC=C/N=C(\C(=C)C)C(F)F
InChIInChI=1S/C7H9F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-2H2,3H3/b10-6+
InChIKeyRCFGDDDGSZZFSQ-UXBLZVDNSA-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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Related Compounds

1,1,1-trifluoro-N-[(E)-2-methylbut-1-enyl]but-3-en-2-imine
CID 88900846
(E)-2-N-methyl-4-N-methylidene-3-(trifluoromethyl)but-3-ene-2,4-diimine
CID 123356737
(E)-N-ethenyl-3-(trifluoromethyl)pent-3-en-2-imine
CID 142927437
N-[(E)-2-(trifluoromethyl)but-1-enyl]propan-2-imine
CID 143519473
1,1,1-trifluoro-N-(2-methylprop-1-enyl)butan-2-imine
CID 143956271
N-ethenyl-3-(trifluoromethyl)but-3-en-2-imine
CID 144251791
ethane;N-ethenyl-1,1,1-trifluoro-3-methylbut-3-en-2-imine
CID 144349641
ethane;1,1,1-trifluoro-N-[(Z)-prop-1-enyl]but-3-en-2-imine
CID 145149506
ethane;5,5,5-trifluoro-N-[(Z)-prop-1-enyl]pent-1-en-3-imine
CID 145149545
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]propan-2-imine
CID 155416551
N-[(Z)-4,4,4-trifluoro-3-methylbut-1-enyl]butan-2-imine
CID 155416552
N-[(Z)-but-1-enyl]-1,1,1-trifluoropropan-2-imine
CID 156570955

Frequently Asked Questions

What is the IUPAC name of N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine?
The IUPAC name of N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine (CID 156740840) is N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine.
What is the SMILES notation for N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine?
The canonical SMILES for N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine is C=C/N=C(\C(=C)C)C(F)F.
What is the InChIKey of N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine?
The InChIKey is RCFGDDDGSZZFSQ-UXBLZVDNSA-N. The full InChI is InChI=1S/C7H9F2N/c1-4-10-6(5(2)3)7(8)9/h4,7H,1-2H2,3H3/b10-6+.
What are the key properties of N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine?
N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-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 N-ethenyl-1,1-difluoro-3-methylbut-3-en-2-imine is sourced from PubChem (CID 156740840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).