methyl hypofluorite;1,2,2,3,3-pentafluorobutane

C5H8F6O — CID 123175588

IUPACmethyl hypofluorite;1,2,2,3,3-pentafluorobutane
SMILESCC(F)(F)C(F)(F)CF.COF
InChIInChI=1S/C4H5F5.CH3FO/c1-3(6,7)4(8,9)2-5;1-3-2/h2H2,1H3;1H3
InChIKeyUBYAYWAHNRFGIV-UHFFFAOYSA-N
MW198.11 g/mol
LogP2.76
Rot. Bonds2

About methyl hypofluorite;1,2,2,3,3-pentafluorobutane

methyl hypofluorite;1,2,2,3,3-pentafluorobutane (PubChem CID 123175588) has the molecular formula C5H8F6O and a molecular weight of 198.11 g/mol. Its IUPAC name is methyl hypofluorite;1,2,2,3,3-pentafluorobutane.

Molecular Properties

Compound Namemethyl hypofluorite;1,2,2,3,3-pentafluorobutane
PubChem CID123175588
Molecular FormulaC5H8F6O
Molecular Weight198.11 g/mol
Exact Mass198.05
IUPAC Namemethyl hypofluorite;1,2,2,3,3-pentafluorobutane
SMILESCC(F)(F)C(F)(F)CF.COF
InChIInChI=1S/C4H5F5.CH3FO/c1-3(6,7)4(8,9)2-5;1-3-2/h2H2,1H3;1H3
InChIKeyUBYAYWAHNRFGIV-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

CID 23114988
CID 23114988
CID 23114991
CID 23114991
CID 87200973
CID 87200973
CID 87370904
CID 87370904
CID 87370905
CID 87370905
CID 87370906
CID 87370906
CID 87371546
CID 87371546
CID 87371548
CID 87371548
CID 87371549
CID 87371549
CID 87372382
CID 87372382
CID 87372912
CID 87372912
CID 87372913
CID 87372913

Frequently Asked Questions

What is the IUPAC name of methyl hypofluorite;1,2,2,3,3-pentafluorobutane?
The IUPAC name of methyl hypofluorite;1,2,2,3,3-pentafluorobutane (CID 123175588) is methyl hypofluorite;1,2,2,3,3-pentafluorobutane.
What is the SMILES notation for methyl hypofluorite;1,2,2,3,3-pentafluorobutane?
The canonical SMILES for methyl hypofluorite;1,2,2,3,3-pentafluorobutane is CC(F)(F)C(F)(F)CF.COF.
What is the InChIKey of methyl hypofluorite;1,2,2,3,3-pentafluorobutane?
The InChIKey is UBYAYWAHNRFGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F5.CH3FO/c1-3(6,7)4(8,9)2-5;1-3-2/h2H2,1H3;1H3.
What are the key properties of methyl hypofluorite;1,2,2,3,3-pentafluorobutane?
methyl hypofluorite;1,2,2,3,3-pentafluorobutane has a molecular weight of 198.11 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypofluorite;1,2,2,3,3-pentafluorobutane is sourced from PubChem (CID 123175588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).