(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene

C5H4F6 — CID 19781234

IUPAC(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene
SMILESC/C(=C(/F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h4H,1H3/b3-2-
InChIKeyKGBKVJCYABGCHD-IHWYPQMZSA-N
MW178.08 g/mol
LogP3.06
Rot. Bonds1

About (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene

(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene (PubChem CID 19781234) has the molecular formula C5H4F6 and a molecular weight of 178.08 g/mol. Its IUPAC name is (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene.

Molecular Properties

Compound Name(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene
PubChem CID19781234
Molecular FormulaC5H4F6
Molecular Weight178.08 g/mol
Exact Mass178.02
IUPAC Name(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene
SMILESC/C(=C(/F)C(F)(F)F)C(F)F
InChIInChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h4H,1H3/b3-2-
InChIKeyKGBKVJCYABGCHD-IHWYPQMZSA-N
XLogP3.06
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.08
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene?
The IUPAC name of (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene (CID 19781234) is (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene.
What is the SMILES notation for (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene?
The canonical SMILES for (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene is C/C(=C(/F)C(F)(F)F)C(F)F.
What is the InChIKey of (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene?
The InChIKey is KGBKVJCYABGCHD-IHWYPQMZSA-N. The full InChI is InChI=1S/C5H4F6/c1-2(4(7)8)3(6)5(9,10)11/h4H,1H3/b3-2-.
What are the key properties of (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene?
(Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene has a molecular weight of 178.08 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1,1,1,2,4,4-hexafluoro-3-methylbut-2-ene is sourced from PubChem (CID 19781234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).