2,3-bis(trifluoromethyl)buta-1,3-diene;ethane

C8H10F6 — CID 144577620

IUPAC2,3-bis(trifluoromethyl)buta-1,3-diene;ethane
SMILESC=C(C(=C)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C6H4F6.C2H6/c1-3(5(7,8)9)4(2)6(10,11)12;1-2/h1-2H2;1-2H3
InChIKeyPMIHDYFQEJKZOK-UHFFFAOYSA-N
MW220.16 g/mol
LogP4.25
Rot. Bonds1

About 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane

2,3-bis(trifluoromethyl)buta-1,3-diene;ethane (PubChem CID 144577620) has the molecular formula C8H10F6 and a molecular weight of 220.16 g/mol. Its IUPAC name is 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane.

Molecular Properties

Compound Name2,3-bis(trifluoromethyl)buta-1,3-diene;ethane
PubChem CID144577620
Molecular FormulaC8H10F6
Molecular Weight220.16 g/mol
Exact Mass220.07
IUPAC Name2,3-bis(trifluoromethyl)buta-1,3-diene;ethane
SMILESC=C(C(=C)C(F)(F)F)C(F)(F)F.CC
InChIInChI=1S/C6H4F6.C2H6/c1-3(5(7,8)9)4(2)6(10,11)12;1-2/h1-2H2;1-2H3
InChIKeyPMIHDYFQEJKZOK-UHFFFAOYSA-N
XLogP4.25
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 54.25
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 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane?
The IUPAC name of 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane (CID 144577620) is 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane.
What is the SMILES notation for 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane?
The canonical SMILES for 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane is C=C(C(=C)C(F)(F)F)C(F)(F)F.CC.
What is the InChIKey of 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane?
The InChIKey is PMIHDYFQEJKZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F6.C2H6/c1-3(5(7,8)9)4(2)6(10,11)12;1-2/h1-2H2;1-2H3.
What are the key properties of 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane?
2,3-bis(trifluoromethyl)buta-1,3-diene;ethane has a molecular weight of 220.16 g/mol, XLogP of 4.25, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(trifluoromethyl)buta-1,3-diene;ethane is sourced from PubChem (CID 144577620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).