1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene

C6F10 — CID 12576085

IUPAC1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene
SMILESFC(F)=C(C(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10/c7-3(8)1(5(11,12)13)2(4(9)10)6(14,15)16
InChIKeyRRNGJYRZKCGLMI-UHFFFAOYSA-N
MW262.05 g/mol
LogP4.41
Rot. Bonds1

About 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene

1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene (PubChem CID 12576085) has the molecular formula C6F10 and a molecular weight of 262.05 g/mol. Its IUPAC name is 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene.

Molecular Properties

Compound Name1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene
PubChem CID12576085
Molecular FormulaC6F10
Molecular Weight262.05 g/mol
Exact Mass261.98
IUPAC Name1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene
SMILESFC(F)=C(C(=C(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F10/c7-3(8)1(5(11,12)13)2(4(9)10)6(14,15)16
InChIKeyRRNGJYRZKCGLMI-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.05
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene?
The IUPAC name of 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene (CID 12576085) is 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene.
What is the SMILES notation for 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene?
The canonical SMILES for 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene is FC(F)=C(C(=C(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene?
The InChIKey is RRNGJYRZKCGLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F10/c7-3(8)1(5(11,12)13)2(4(9)10)6(14,15)16.
What are the key properties of 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene?
1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene has a molecular weight of 262.05 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,4,4-tetrafluoro-2,3-bis(trifluoromethyl)buta-1,3-diene is sourced from PubChem (CID 12576085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).