2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene

C6H4F8 — CID 135262110

IUPAC2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene
SMILESFC(F)C(=C(C(F)F)C(F)F)C(F)F
InChIInChI=1S/C6H4F8/c7-3(8)1(4(9)10)2(5(11)12)6(13)14/h3-6H
InChIKeySSNFESKEEQFQGP-UHFFFAOYSA-N
MW228.08 g/mol
LogP3.34
Rot. Bonds4

About 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene

2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene (PubChem CID 135262110) has the molecular formula C6H4F8 and a molecular weight of 228.08 g/mol. Its IUPAC name is 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene.

Molecular Properties

Compound Name2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene
PubChem CID135262110
Molecular FormulaC6H4F8
Molecular Weight228.08 g/mol
Exact Mass228.02
IUPAC Name2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene
SMILESFC(F)C(=C(C(F)F)C(F)F)C(F)F
InChIInChI=1S/C6H4F8/c7-3(8)1(4(9)10)2(5(11)12)6(13)14/h3-6H
InChIKeySSNFESKEEQFQGP-UHFFFAOYSA-N
XLogP3.34
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene?
The IUPAC name of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene (CID 135262110) is 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene.
What is the SMILES notation for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene?
The canonical SMILES for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene is FC(F)C(=C(C(F)F)C(F)F)C(F)F.
What is the InChIKey of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene?
The InChIKey is SSNFESKEEQFQGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8/c7-3(8)1(4(9)10)2(5(11)12)6(13)14/h3-6H.
What are the key properties of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene?
2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene has a molecular weight of 228.08 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene is sourced from PubChem (CID 135262110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).