1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene

C6F12 — CID 12576084

IUPAC1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12/c7-2(8)1(4(10,11)12)3(9,5(13,14)15)6(16,17)18
InChIKeyLAGQTOICBOJOOV-UHFFFAOYSA-N
MW300.04 g/mol
LogP4.53
Rot. Bonds1

About 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene

1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene (PubChem CID 12576084) has the molecular formula C6F12 and a molecular weight of 300.04 g/mol. Its IUPAC name is 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene.

Molecular Properties

Compound Name1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene
PubChem CID12576084
Molecular FormulaC6F12
Molecular Weight300.04 g/mol
Exact Mass299.98
IUPAC Name1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene
SMILESFC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6F12/c7-2(8)1(4(10,11)12)3(9,5(13,14)15)6(16,17)18
InChIKeyLAGQTOICBOJOOV-UHFFFAOYSA-N
XLogP4.53
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.04
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene?
The IUPAC name of 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene (CID 12576084) is 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene.
What is the SMILES notation for 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene?
The canonical SMILES for 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene is FC(F)=C(C(F)(F)F)C(F)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene?
The InChIKey is LAGQTOICBOJOOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6F12/c7-2(8)1(4(10,11)12)3(9,5(13,14)15)6(16,17)18.
What are the key properties of 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene?
1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene has a molecular weight of 300.04 g/mol, XLogP of 4.53, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)but-1-ene is sourced from PubChem (CID 12576084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).