1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene

C6H9F3 — CID 135261978

IUPAC1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene
SMILESCC(CF)=C(CF)CF
InChIInChI=1S/C6H9F3/c1-5(2-7)6(3-8)4-9/h2-4H2,1H3
InChIKeyHEFVODJTFMQVEG-UHFFFAOYSA-N
MW138.13 g/mol
LogP2.21
Rot. Bonds3

About 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene

1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene (PubChem CID 135261978) has the molecular formula C6H9F3 and a molecular weight of 138.13 g/mol. Its IUPAC name is 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene.

Molecular Properties

Compound Name1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene
PubChem CID135261978
Molecular FormulaC6H9F3
Molecular Weight138.13 g/mol
Exact Mass138.07
IUPAC Name1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene
SMILESCC(CF)=C(CF)CF
InChIInChI=1S/C6H9F3/c1-5(2-7)6(3-8)4-9/h2-4H2,1H3
InChIKeyHEFVODJTFMQVEG-UHFFFAOYSA-N
XLogP2.21
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.13
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene?
The IUPAC name of 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene (CID 135261978) is 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene.
What is the SMILES notation for 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene?
The canonical SMILES for 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene is CC(CF)=C(CF)CF.
What is the InChIKey of 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene?
The InChIKey is HEFVODJTFMQVEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F3/c1-5(2-7)6(3-8)4-9/h2-4H2,1H3.
What are the key properties of 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene?
1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene has a molecular weight of 138.13 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-difluoro-2-(fluoromethyl)-3-methylbut-2-ene is sourced from PubChem (CID 135261978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).