2,2,3,3,4,4,5-heptafluoro-5-methyloxolane

C5H3F7O — CID 20653728

IUPAC2,2,3,3,4,4,5-heptafluoro-5-methyloxolane
SMILESCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7O/c1-2(6)3(7,8)4(9,10)5(11,12)13-2/h1H3
InChIKeyOVOUPEXFPKOZTP-UHFFFAOYSA-N
MW212.06 g/mol
LogP2.57
Rot. Bonds

About 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane

2,2,3,3,4,4,5-heptafluoro-5-methyloxolane (PubChem CID 20653728) has the molecular formula C5H3F7O and a molecular weight of 212.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane.

Molecular Properties

Compound Name2,2,3,3,4,4,5-heptafluoro-5-methyloxolane
PubChem CID20653728
Molecular FormulaC5H3F7O
Molecular Weight212.06 g/mol
Exact Mass212.01
IUPAC Name2,2,3,3,4,4,5-heptafluoro-5-methyloxolane
SMILESCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C5H3F7O/c1-2(6)3(7,8)4(9,10)5(11,12)13-2/h1H3
InChIKeyOVOUPEXFPKOZTP-UHFFFAOYSA-N
XLogP2.57
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.06
LogP ≤ 52.57
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

Perfluoro-2-methyl-tetrahydrofuran
CID 15091571
Furan, 2-(difluoromethyl)-2,3,3,4,4,5,5-heptafluorotetrahydro-
CID 10681972
(4S,5S)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 175928451
Heptafluoro-2-trifluoromethyl-tetrahydro-furan
CID 23236296
(4R,5S)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 73057418
(4S,5R)-2,2,3,3,4,5-hexafluoro-5-(trifluoromethyl)oxolane
CID 15717481
2-(1,1-Difluoroethyl)-2,3,3,5,5-pentafluorooxolane
CID 20700669
5-Ethyl-2,2,3,3,5-pentafluorooxolane
CID 20725477
2-(1,1-Difluoroethyl)-2,5,5-trifluorooxolane
CID 20802246
1-(1,1-Difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 22002811
2-Ethyl-2,3,3,4,4,5,5-heptafluorooxolane
CID 22172825
3-Ethyl-2,3,5,5-tetrafluoro-2-(trifluoromethyl)oxolane
CID 58488801

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane?
The IUPAC name of 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane (CID 20653728) is 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane.
What is the SMILES notation for 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane?
The canonical SMILES for 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane is CC1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane?
The InChIKey is OVOUPEXFPKOZTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H3F7O/c1-2(6)3(7,8)4(9,10)5(11,12)13-2/h1H3.
What are the key properties of 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane?
2,2,3,3,4,4,5-heptafluoro-5-methyloxolane has a molecular weight of 212.06 g/mol, XLogP of 2.57, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5-heptafluoro-5-methyloxolane is sourced from PubChem (CID 20653728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).