methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite

C24H22F8O2 — CID 91163968

IUPACmethyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite
SMILESCOF.FCC(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.FCC(F)(F)OF
InChIInChI=1S/C21H17F3.C2H2F4O.CH3FO/c22-16-20(23,24)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;3-1-2(4,5)7-6;1-3-2/h1-15H,16H2;1H2;1H3
InChIKeyDYNFCEYYWIBYMO-UHFFFAOYSA-N
MW494.42 g/mol
LogP7.59
Rot. Bonds7

About methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite

methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite (PubChem CID 91163968) has the molecular formula C24H22F8O2 and a molecular weight of 494.42 g/mol. Its IUPAC name is methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite.

Molecular Properties

Compound Namemethyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite
PubChem CID91163968
Molecular FormulaC24H22F8O2
Molecular Weight494.42 g/mol
Exact Mass494.15
IUPAC Namemethyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite
SMILESCOF.FCC(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.FCC(F)(F)OF
InChIInChI=1S/C21H17F3.C2H2F4O.CH3FO/c22-16-20(23,24)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;3-1-2(4,5)7-6;1-3-2/h1-15H,16H2;1H2;1H3
InChIKeyDYNFCEYYWIBYMO-UHFFFAOYSA-N
XLogP7.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.42
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite?
The IUPAC name of methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite (CID 91163968) is methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite.
What is the SMILES notation for methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite?
The canonical SMILES for methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite is COF.FCC(F)(F)C(c1ccccc1)(c1ccccc1)c1ccccc1.FCC(F)(F)OF.
What is the InChIKey of methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite?
The InChIKey is DYNFCEYYWIBYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3.C2H2F4O.CH3FO/c22-16-20(23,24)21(17-10-4-1-5-11-17,18-12-6-2-7-13-18)19-14-8-3-9-15-19;3-1-2(4,5)7-6;1-3-2/h1-15H,16H2;1H2;1H3.
What are the key properties of methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite?
methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite has a molecular weight of 494.42 g/mol, XLogP of 7.59, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl hypofluorite;(2,2,3-trifluoro-1,1-diphenylpropyl)benzene;1,1,2-trifluoroethyl hypofluorite is sourced from PubChem (CID 91163968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).