1,4,4,4-tetrafluoro-3-methylbut-1-ene

C5H6F4 — CID 141177042

IUPAC1,4,4,4-tetrafluoro-3-methylbut-1-ene
SMILESCC(C=CF)C(F)(F)F
InChIInChI=1S/C5H6F4/c1-4(2-3-6)5(7,8)9/h2-4H,1H3
InChIKeyYTODRVVPUGSOKX-UHFFFAOYSA-N
MW142.09 g/mol
LogP2.67
Rot. Bonds1

About 1,4,4,4-tetrafluoro-3-methylbut-1-ene

1,4,4,4-tetrafluoro-3-methylbut-1-ene (PubChem CID 141177042) has the molecular formula C5H6F4 and a molecular weight of 142.09 g/mol. Its IUPAC name is 1,4,4,4-tetrafluoro-3-methylbut-1-ene.

Molecular Properties

Compound Name1,4,4,4-tetrafluoro-3-methylbut-1-ene
PubChem CID141177042
Molecular FormulaC5H6F4
Molecular Weight142.09 g/mol
Exact Mass142.04
IUPAC Name1,4,4,4-tetrafluoro-3-methylbut-1-ene
SMILESCC(C=CF)C(F)(F)F
InChIInChI=1S/C5H6F4/c1-4(2-3-6)5(7,8)9/h2-4H,1H3
InChIKeyYTODRVVPUGSOKX-UHFFFAOYSA-N
XLogP2.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.09
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,4,4,4-tetrafluoro-3-methylbut-1-ene?
The IUPAC name of 1,4,4,4-tetrafluoro-3-methylbut-1-ene (CID 141177042) is 1,4,4,4-tetrafluoro-3-methylbut-1-ene.
What is the SMILES notation for 1,4,4,4-tetrafluoro-3-methylbut-1-ene?
The canonical SMILES for 1,4,4,4-tetrafluoro-3-methylbut-1-ene is CC(C=CF)C(F)(F)F.
What is the InChIKey of 1,4,4,4-tetrafluoro-3-methylbut-1-ene?
The InChIKey is YTODRVVPUGSOKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F4/c1-4(2-3-6)5(7,8)9/h2-4H,1H3.
What are the key properties of 1,4,4,4-tetrafluoro-3-methylbut-1-ene?
1,4,4,4-tetrafluoro-3-methylbut-1-ene has a molecular weight of 142.09 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4,4,4-tetrafluoro-3-methylbut-1-ene is sourced from PubChem (CID 141177042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).