ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

C8H7F9O4 — CID 90932562

IUPACethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESCCOF.O=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1
InChIInChI=1S/C6H2F8O3.C2H5FO/c7-1-3(9)6(13,14)17-4(16-3,2(8)15)5(10,11)12;1-2-4-3/h1H2;2H2,1H3
InChIKeyUOWDQCZRNYLWGE-UHFFFAOYSA-N
MW338.12 g/mol
LogP2.92
Rot. Bonds3

About ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride

ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (PubChem CID 90932562) has the molecular formula C8H7F9O4 and a molecular weight of 338.12 g/mol. Its IUPAC name is ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.

Molecular Properties

Compound Nameethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
PubChem CID90932562
Molecular FormulaC8H7F9O4
Molecular Weight338.12 g/mol
Exact Mass338.02
IUPAC Nameethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
SMILESCCOF.O=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1
InChIInChI=1S/C6H2F8O3.C2H5FO/c7-1-3(9)6(13,14)17-4(16-3,2(8)15)5(10,11)12;1-2-4-3/h1H2;2H2,1H3
InChIKeyUOWDQCZRNYLWGE-UHFFFAOYSA-N
XLogP2.92
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-Methoxycarbonyl-4-methoxy-2,4-bis(trifluoromethyl)-1,3-dioxolan-5-one
CID 15175724
(2,4-Dimethyl-1,3-dioxolan-2-yl)methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 21133314
(5S)-5-methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 131860682
(2,4-Dimethyl-1,3-dioxolan-2-yl)methyl 4,4-difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 11200516
4,4-Difluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride
CID 11449214
(2,2-Dimethyl-1,3-dioxolan-4-yl)methyl 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 11464944
Methyl 4-methyl-2-(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 11492212
(2,4-Dimethyl-1,3-dioxolan-2-yl)methyl 4,4,5-trifluoro-2,5-bis(trifluoromethyl)-1,3-dioxolane-2-carboxylate
CID 12151606
5-Methyl-2,2-bis(trifluoromethyl)-1,3-dioxolan-4-one
CID 12419778
Methyl 2-[difluoro-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]methoxy]-2,3,3,3-tetrafluoropropanoate
CID 14401464
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone
CID 14401466
2,2,2-Trifluoro-1-[2-(trifluoromethyl)-1,3-dioxolan-2-yl]ethanone;hydrate
CID 14401467

Frequently Asked Questions

What is the IUPAC name of ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The IUPAC name of ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride (CID 90932562) is ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride.
What is the SMILES notation for ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The canonical SMILES for ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is CCOF.O=C(F)C1(C(F)(F)F)OC(F)(F)C(F)(CF)O1.
What is the InChIKey of ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
The InChIKey is UOWDQCZRNYLWGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F8O3.C2H5FO/c7-1-3(9)6(13,14)17-4(16-3,2(8)15)5(10,11)12;1-2-4-3/h1H2;2H2,1H3.
What are the key properties of ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride?
ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride has a molecular weight of 338.12 g/mol, XLogP of 2.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl hypofluorite;4,4,5-trifluoro-5-(fluoromethyl)-2-(trifluoromethyl)-1,3-dioxolane-2-carbonyl fluoride is sourced from PubChem (CID 90932562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).