1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene

C6H8F4 — CID 19819890

IUPAC1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene
SMILESFCC(CF)=C(CF)CF
InChIInChI=1S/C6H8F4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
InChIKeyDBBKGLDDTOCIFV-UHFFFAOYSA-N
MW156.12 g/mol
LogP2.16
Rot. Bonds4

About 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene

1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene (PubChem CID 19819890) has the molecular formula C6H8F4 and a molecular weight of 156.12 g/mol. Its IUPAC name is 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene.

Molecular Properties

Compound Name1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene
PubChem CID19819890
Molecular FormulaC6H8F4
Molecular Weight156.12 g/mol
Exact Mass156.06
IUPAC Name1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene
SMILESFCC(CF)=C(CF)CF
InChIInChI=1S/C6H8F4/c7-1-5(2-8)6(3-9)4-10/h1-4H2
InChIKeyDBBKGLDDTOCIFV-UHFFFAOYSA-N
XLogP2.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.12
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,2-Difluoro-3-methylbut-2-ene
CID 54475130
(E)-1,3-difluoro-2-methylbut-2-ene
CID 58952813
1,4-Difluoro-2,3-dimethylbut-2-ene
CID 86101134
1,1,4-Trifluoro-2,3-bis(fluoromethyl)but-2-ene
CID 135261919
1,4-Difluoro-2-(fluoromethyl)-3-methylbut-2-ene
CID 135261978
2-(Difluoromethyl)-1,1,3,4-tetrafluorobut-2-ene
CID 135261981
1,2,4-Trifluoro-3-(fluoromethyl)but-2-ene
CID 135262054
2,3-Bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene
CID 135262110
2-(Difluoromethyl)-1,1,4,4-tetrafluoro-3-(fluoromethyl)but-2-ene
CID 135262216
ethane;(E)-1,1,1,3-tetrafluoro-2-methylbut-2-ene
CID 142058978
ethane;(Z)-1,1,1,2,4,4,4-heptafluoro-3-methylbut-2-ene
CID 142058995
Ethane;1,1,1,3-tetrafluoro-2-(trifluoromethyl)but-2-ene
CID 142059048

Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene?
The IUPAC name of 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene (CID 19819890) is 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene.
What is the SMILES notation for 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene?
The canonical SMILES for 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene is FCC(CF)=C(CF)CF.
What is the InChIKey of 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene?
The InChIKey is DBBKGLDDTOCIFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F4/c7-1-5(2-8)6(3-9)4-10/h1-4H2.
What are the key properties of 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene?
1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene has a molecular weight of 156.12 g/mol, XLogP of 2.16, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2,3-bis(fluoromethyl)but-2-ene is sourced from PubChem (CID 19819890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).