3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite

C4HClF4O — CID 174378835

IUPAC3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite
SMILESFC(=C=COCl)C(F)(F)F
InChIInChI=1S/C4HClF4O/c5-10-2-1-3(6)4(7,8)9/h2H
InChIKeyUITXWZFJWDNAFT-UHFFFAOYSA-N
MW176.50 g/mol
LogP2.69
Rot. Bonds1

About 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite

3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite (PubChem CID 174378835) has the molecular formula C4HClF4O and a molecular weight of 176.50 g/mol. Its IUPAC name is 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite.

Molecular Properties

Compound Name3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite
PubChem CID174378835
Molecular FormulaC4HClF4O
Molecular Weight176.50 g/mol
Exact Mass175.97
IUPAC Name3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite
SMILESFC(=C=COCl)C(F)(F)F
InChIInChI=1S/C4HClF4O/c5-10-2-1-3(6)4(7,8)9/h2H
InChIKeyUITXWZFJWDNAFT-UHFFFAOYSA-N
XLogP2.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.50
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Related Compounds

ethene;3,4,4,4-tetrafluorobuta-1,2-diene
CID 175238449
N-(3,4,4,4-tetrafluorobuta-1,2-dienyl)aniline
CID 176544530
CID 14849495
CID 14849495
(Z)-3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 90459485
3,3-dichloro-1,2,3-trifluoroprop-1-ene
CID 154475695
2,4,4-trichloro-1,1,1,3-tetrafluorobut-2-ene
CID 139906496
1,2,2,2-tetrafluoroethylidenecopper
CID 175040157
2-bromo-1,1-dichloro-3,3,3-trifluoroprop-1-ene
CID 154220491
3,3,3-trifluoro-2-(trifluoromethyl)-1-[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enoxy]prop-1-ene
CID 15653759
1-chloro-1,3-difluoropropa-1,2-diene
CID 101109098
1,2,3,3,3-pentafluoro-1-(1,2,3,3,3-pentafluoroprop-1-enoxy)prop-1-ene
CID 57349567
1,2-dichloro-3,3,3-trifluoroprop-1-ene
CID 521135

Frequently Asked Questions

What is the IUPAC name of 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite?
The IUPAC name of 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite (CID 174378835) is 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite.
What is the SMILES notation for 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite?
The canonical SMILES for 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite is FC(=C=COCl)C(F)(F)F.
What is the InChIKey of 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite?
The InChIKey is UITXWZFJWDNAFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4HClF4O/c5-10-2-1-3(6)4(7,8)9/h2H.
What are the key properties of 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite?
3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite has a molecular weight of 176.50 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,4,4-tetrafluorobuta-1,2-dienyl hypochlorite is sourced from PubChem (CID 174378835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).