4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane

C6H4F8O — CID 89446753

IUPAC4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane
SMILESCC1(F)OC(F)(F)C(F)(F)C1(F)C(F)F
InChIInChI=1S/C6H4F8O/c1-3(9)4(10,2(7)8)5(11,12)6(13,14)15-3/h2H,1H3
InChIKeyAWVCDDHWQGJQCR-UHFFFAOYSA-N
MW244.08 g/mol
LogP2.90
Rot. Bonds1

About 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane

4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane (PubChem CID 89446753) has the molecular formula C6H4F8O and a molecular weight of 244.08 g/mol. Its IUPAC name is 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane.

Molecular Properties

Compound Name4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane
PubChem CID89446753
Molecular FormulaC6H4F8O
Molecular Weight244.08 g/mol
Exact Mass244.01
IUPAC Name4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane
SMILESCC1(F)OC(F)(F)C(F)(F)C1(F)C(F)F
InChIInChI=1S/C6H4F8O/c1-3(9)4(10,2(7)8)5(11,12)6(13,14)15-3/h2H,1H3
InChIKeyAWVCDDHWQGJQCR-UHFFFAOYSA-N
XLogP2.90
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.08
LogP ≤ 52.90
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

2,2,3,3,4,4,5-Heptafluoro-5-methyloxolane
CID 20653728
2,3-Bis(1,1-difluoroethyl)-2,3,4,4,5,5-hexafluorooxolane
CID 20823501
2-Ethyl-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
CID 57549742
2,2,3,5-Tetrafluoro-5-(fluoromethyl)-4-(trifluoromethyl)oxolane
CID 57667485
3-Ethyl-2,2,3,5,5-pentafluorooxolane
CID 58488799
3-Ethyl-2,3,5,5-tetrafluoro-2-(trifluoromethyl)oxolane
CID 58488801
2-(1,1-Difluoroethyl)-2,3,5,5-tetrafluoro-3-(trifluoromethyl)oxolane
CID 58545282
2-(1,2-Difluoroethyl)-2,3,4,4,5,5-hexafluoro-3-(fluoromethyl)oxolane
CID 58813259
2,2,3,3,4,5-Hexafluoro-4,5-bis(fluoromethyl)oxolane
CID 59773673
2,3-Difluoro-2,3-bis(trifluoromethyl)oxolane
CID 73057417
2,2,3,3,5-Pentafluoro-5-methyloxolane
CID 88848820
2-(1,1-Difluoroethyl)-2,3,3,4,5,5-hexafluoro-4-methyloxolane
CID 89254685

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane?
The IUPAC name of 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane (CID 89446753) is 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane.
What is the SMILES notation for 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane?
The canonical SMILES for 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane is CC1(F)OC(F)(F)C(F)(F)C1(F)C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane?
The InChIKey is AWVCDDHWQGJQCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F8O/c1-3(9)4(10,2(7)8)5(11,12)6(13,14)15-3/h2H,1H3.
What are the key properties of 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane?
4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane has a molecular weight of 244.08 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2,2,3,3,4,5-hexafluoro-5-methyloxolane is sourced from PubChem (CID 89446753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).