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

C7H6F8O3 — CID 135262109

IUPAC2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid
SMILESFC(F)C(=C(C(F)F)C(F)F)C(F)F.O=C(O)O
InChIInChI=1S/C6H4F8.CH2O3/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;2-1(3)4/h3-6H;(H2,2,3,4)
InChIKeyMOGVHGMRBKIGRA-UHFFFAOYSA-N
MW290.11 g/mol
LogP3.57
Rot. Bonds4

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

2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid (PubChem CID 135262109) has the molecular formula C7H6F8O3 and a molecular weight of 290.11 g/mol. Its IUPAC name is 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid.

Molecular Properties

Compound Name2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid
PubChem CID135262109
Molecular FormulaC7H6F8O3
Molecular Weight290.11 g/mol
Exact Mass290.02
IUPAC Name2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid
SMILESFC(F)C(=C(C(F)F)C(F)F)C(F)F.O=C(O)O
InChIInChI=1S/C6H4F8.CH2O3/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;2-1(3)4/h3-6H;(H2,2,3,4)
InChIKeyMOGVHGMRBKIGRA-UHFFFAOYSA-N
XLogP3.57
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.11
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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;carbonic acid?
The IUPAC name of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid (CID 135262109) is 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid.
What is the SMILES notation for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid?
The canonical SMILES for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid is FC(F)C(=C(C(F)F)C(F)F)C(F)F.O=C(O)O.
What is the InChIKey of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid?
The InChIKey is MOGVHGMRBKIGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8.CH2O3/c7-3(8)1(4(9)10)2(5(11)12)6(13)14;2-1(3)4/h3-6H;(H2,2,3,4).
What are the key properties of 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid?
2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid has a molecular weight of 290.11 g/mol, XLogP of 3.57, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(difluoromethyl)-1,1,4,4-tetrafluorobut-2-ene;carbonic acid is sourced from PubChem (CID 135262109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).