1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine

C6H6F5N — CID 123986318

IUPAC1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine
SMILESC=C(F)F.[H]/N=C(\C)C(F)=C(F)F
InChIInChI=1S/C4H4F3N.C2H2F2/c1-2(8)3(5)4(6)7;1-2(3)4/h8H,1H3;1H2/b8-2+;
InChIKeyAIWVLPHNDNXTAN-VOKCZWNHSA-N
MW187.11 g/mol
LogP3.50
Rot. Bonds1

About 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine

1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine (PubChem CID 123986318) has the molecular formula C6H6F5N and a molecular weight of 187.11 g/mol. Its IUPAC name is 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine.

Molecular Properties

Compound Name1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine
PubChem CID123986318
Molecular FormulaC6H6F5N
Molecular Weight187.11 g/mol
Exact Mass187.04
IUPAC Name1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine
SMILESC=C(F)F.[H]/N=C(\C)C(F)=C(F)F
InChIInChI=1S/C4H4F3N.C2H2F2/c1-2(8)3(5)4(6)7;1-2(3)4/h8H,1H3;1H2/b8-2+;
InChIKeyAIWVLPHNDNXTAN-VOKCZWNHSA-N
XLogP3.50
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.11
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine?
The IUPAC name of 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine (CID 123986318) is 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine.
What is the SMILES notation for 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine?
The canonical SMILES for 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine is C=C(F)F.[H]/N=C(\C)C(F)=C(F)F.
What is the InChIKey of 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine?
The InChIKey is AIWVLPHNDNXTAN-VOKCZWNHSA-N. The full InChI is InChI=1S/C4H4F3N.C2H2F2/c1-2(8)3(5)4(6)7;1-2(3)4/h8H,1H3;1H2/b8-2+;.
What are the key properties of 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine?
1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine has a molecular weight of 187.11 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoroethene;3,4,4-trifluorobut-3-en-2-imine is sourced from PubChem (CID 123986318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).