2,3,4,4,4-pentafluorobut-2-enoyl fluoride

C4F6O — CID 56616354

IUPAC2,3,4,4,4-pentafluorobut-2-enoyl fluoride
SMILESO=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C4F6O/c5-1(3(7)11)2(6)4(8,9)10
InChIKeyKBGQISMERZUWBT-UHFFFAOYSA-N
MW178.03 g/mol
LogP2.20
Rot. Bonds1

About 2,3,4,4,4-pentafluorobut-2-enoyl fluoride

2,3,4,4,4-pentafluorobut-2-enoyl fluoride (PubChem CID 56616354) has the molecular formula C4F6O and a molecular weight of 178.03 g/mol. Its IUPAC name is 2,3,4,4,4-pentafluorobut-2-enoyl fluoride.

Molecular Properties

Compound Name2,3,4,4,4-pentafluorobut-2-enoyl fluoride
PubChem CID56616354
Molecular FormulaC4F6O
Molecular Weight178.03 g/mol
Exact Mass177.99
IUPAC Name2,3,4,4,4-pentafluorobut-2-enoyl fluoride
SMILESO=C(F)C(F)=C(F)C(F)(F)F
InChIInChI=1S/C4F6O/c5-1(3(7)11)2(6)4(8,9)10
InChIKeyKBGQISMERZUWBT-UHFFFAOYSA-N
XLogP2.20
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.03
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(3Z)-1,1,2,3,4,5,5,5-octafluoropenta-1,3-diene
CID 5462741
3,3,3-trifluoro-2-oxopropanoyl fluoride
CID 2782444
(E)-1,1,2,3,4,4,4-heptafluorobut-2-en-1-ol
CID 139594305
1,1,2,3,3,3-hexafluoroprop-1-ene hexafluoride
CID 158507294
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrobromide
CID 88822630
1,1,2,3,3,3-hexafluoroprop-1-ene;dihydrofluoride
CID 162622378
1,1,1,3,4,5,5,6,6,6-decafluorohex-3-en-2-one
CID 91153512
1,1,1,2,5,6,6,6-octafluoro-3,4-dimethylhexa-2,4-diene
CID 173395165
zinc;1,1,2,3,3,3-hexafluoroprop-1-ene;oxygen(2-)
CID 158339432
ethene;1,1,2,3,3,3-hexafluoroprop-1-ene
CID 87565664
1,1,1,3,4,4,4-heptafluorobut-2-en-2-amine
CID 162536579
(E)-2-bromo-1,1,1,3,4,4,4-heptafluorobut-2-ene
CID 23234723

Frequently Asked Questions

What is the IUPAC name of 2,3,4,4,4-pentafluorobut-2-enoyl fluoride?
The IUPAC name of 2,3,4,4,4-pentafluorobut-2-enoyl fluoride (CID 56616354) is 2,3,4,4,4-pentafluorobut-2-enoyl fluoride.
What is the SMILES notation for 2,3,4,4,4-pentafluorobut-2-enoyl fluoride?
The canonical SMILES for 2,3,4,4,4-pentafluorobut-2-enoyl fluoride is O=C(F)C(F)=C(F)C(F)(F)F.
What is the InChIKey of 2,3,4,4,4-pentafluorobut-2-enoyl fluoride?
The InChIKey is KBGQISMERZUWBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4F6O/c5-1(3(7)11)2(6)4(8,9)10.
What are the key properties of 2,3,4,4,4-pentafluorobut-2-enoyl fluoride?
2,3,4,4,4-pentafluorobut-2-enoyl fluoride has a molecular weight of 178.03 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4,4,4-pentafluorobut-2-enoyl fluoride is sourced from PubChem (CID 56616354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).