2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite

C4H3F6IO — CID 122591444

IUPAC2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite
SMILESCC(F)(OI)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F6IO/c1-2(5,12-11)3(6,7)4(8,9)10/h1H3
InChIKeyRHBLMCFGJWXJEH-UHFFFAOYSA-N
MW307.96 g/mol
LogP3.24
Rot. Bonds2

About 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite

2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite (PubChem CID 122591444) has the molecular formula C4H3F6IO and a molecular weight of 307.96 g/mol. Its IUPAC name is 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite.

Molecular Properties

Compound Name2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite
PubChem CID122591444
Molecular FormulaC4H3F6IO
Molecular Weight307.96 g/mol
Exact Mass307.91
IUPAC Name2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite
SMILESCC(F)(OI)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H3F6IO/c1-2(5,12-11)3(6,7)4(8,9)10/h1H3
InChIKeyRHBLMCFGJWXJEH-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.96
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

5-(2,3,3,4,4,5,5,6,6,6-decafluorohexan-2-yloxy)-1,1,1,2,2,3,3,4,4,5-decafluorohexane
CID 155147348
1,1,1,2,2,3,3-heptafluoro-3-(1,1,1,2-tetrafluoropropan-2-yloxy)propane
CID 59685373
ethane;1,1,1,2,2,3,3-heptafluorobutane
CID 170760942
[1,1,1,4,4,4-hexafluoro-3-iodooxy-2,3-bis(trifluoromethyl)butan-2-yl] hypoiodite
CID 23235134
1,1,1,2,2,3,3,3-octafluoropropane
CID 6432
1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
1,1,1,2,2,3,3,4,4-nonafluoro-5,5-dimethylhexane
CID 129191399
1,1,1,2,2,3,3,5,5,5-decafluoro-4-methyl-4-(trifluoromethyl)pentane
CID 11515508
1,1,1,2,2,3-hexafluoro-3,4,4-trimethylpentane
CID 22568684
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-nonadecafluorodecane
CID 22600357
methane;trifluoromethyl hypoiodite
CID 146595452
2,3-difluoro-2,3-dimethoxybutane
CID 174333179

Frequently Asked Questions

What is the IUPAC name of 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite?
The IUPAC name of 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite (CID 122591444) is 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite.
What is the SMILES notation for 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite?
The canonical SMILES for 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite is CC(F)(OI)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite?
The InChIKey is RHBLMCFGJWXJEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3F6IO/c1-2(5,12-11)3(6,7)4(8,9)10/h1H3.
What are the key properties of 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite?
2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite has a molecular weight of 307.96 g/mol, XLogP of 3.24, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,4,4,4-hexafluorobutan-2-yl hypoiodite is sourced from PubChem (CID 122591444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).