4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene

C5H4ClF5 — CID 19781249

IUPAC4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF5/c1-2(4(8)9)3(7)5(6,10)11/h3H,1H3
InChIKeyHFXWZABRZPRTAY-UHFFFAOYSA-N
MW194.53 g/mol
LogP3.33
Rot. Bonds2

About 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene

4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene (PubChem CID 19781249) has the molecular formula C5H4ClF5 and a molecular weight of 194.53 g/mol. Its IUPAC name is 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene.

Molecular Properties

Compound Name4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene
PubChem CID19781249
Molecular FormulaC5H4ClF5
Molecular Weight194.53 g/mol
Exact Mass193.99
IUPAC Name4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene
SMILESCC(=C(F)F)C(F)C(F)(F)Cl
InChIInChI=1S/C5H4ClF5/c1-2(4(8)9)3(7)5(6,10)11/h3H,1H3
InChIKeyHFXWZABRZPRTAY-UHFFFAOYSA-N
XLogP3.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.53
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene?
The IUPAC name of 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene (CID 19781249) is 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene.
What is the SMILES notation for 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene?
The canonical SMILES for 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene is CC(=C(F)F)C(F)C(F)(F)Cl.
What is the InChIKey of 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene?
The InChIKey is HFXWZABRZPRTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClF5/c1-2(4(8)9)3(7)5(6,10)11/h3H,1H3.
What are the key properties of 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene?
4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene has a molecular weight of 194.53 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1,1,3,4,4-pentafluoro-2-methylbut-1-ene is sourced from PubChem (CID 19781249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).