2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine

C5H3F5O2 — CID 19010971

IUPAC2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine
SMILESCC1=C(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H3F5O2/c1-2-3(6)12-5(9,10)4(7,8)11-2/h1H3
InChIKeyQQNRHUUSVOEQAX-UHFFFAOYSA-N
MW190.07 g/mol
LogP2.38
Rot. Bonds

About 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine

2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine (PubChem CID 19010971) has the molecular formula C5H3F5O2 and a molecular weight of 190.07 g/mol. Its IUPAC name is 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine.

Molecular Properties

Compound Name2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine
PubChem CID19010971
Molecular FormulaC5H3F5O2
Molecular Weight190.07 g/mol
Exact Mass190.01
IUPAC Name2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine
SMILESCC1=C(F)OC(F)(F)C(F)(F)O1
InChIInChI=1S/C5H3F5O2/c1-2-3(6)12-5(9,10)4(7,8)11-2/h1H3
InChIKeyQQNRHUUSVOEQAX-UHFFFAOYSA-N
XLogP2.38
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.07
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R,3S)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
CID 21732763
(2S,3S)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
CID 21732764
(2R,3R)-2,3-difluoro-5,6-bis(trifluoromethyl)-2,3-dihydro-1,4-dioxine
CID 134996624
2,3,5-Trifluoro-6-(trifluoromethyl)-2,3-dihydro-1,4-dioxine
CID 18400466
2,2,3,5,6-Pentafluoro-3-methyl-1,4-dioxine
CID 19010969
1-(1,1-Difluoroprop-1-en-2-yloxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 57864910
1,1,1,2,3,3-Hexafluoro-2-(1,1,2,2-tetrafluoropropoxy)-3-(1,2,2-trifluoroethenoxy)propane
CID 58983400
1-[(E)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 59582207
Perfluoro-5-methyl2,3-dihydro-1,4-dioxin
CID 86744873
1-[(Z)-1,2-difluoroprop-1-enoxy]-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
CID 134574761
2,3,5-Trifluoro-2,3,6-trimethyl-1,4-dioxine
CID 141781023
1,1-Difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethoxy]ethoxy]prop-1-ene
CID 143700248

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine?
The IUPAC name of 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine (CID 19010971) is 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine.
What is the SMILES notation for 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine?
The canonical SMILES for 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine is CC1=C(F)OC(F)(F)C(F)(F)O1.
What is the InChIKey of 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine?
The InChIKey is QQNRHUUSVOEQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F5O2/c1-2-3(6)12-5(9,10)4(7,8)11-2/h1H3.
What are the key properties of 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine?
2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine has a molecular weight of 190.07 g/mol, XLogP of 2.38, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,5-pentafluoro-6-methyl-1,4-dioxine is sourced from PubChem (CID 19010971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).