5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane

C7H8F6O — CID 20793160

IUPAC5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane
SMILESCC(F)(F)C1(F)CC(CF)C(F)(F)O1
InChIInChI=1S/C7H8F6O/c1-5(9,10)6(11)2-4(3-8)7(12,13)14-6/h4H,2-3H2,1H3
InChIKeyWNZBAQHMGUDTLB-UHFFFAOYSA-N
MW222.13 g/mol
LogP2.91
Rot. Bonds2

About 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane

5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane (PubChem CID 20793160) has the molecular formula C7H8F6O and a molecular weight of 222.13 g/mol. Its IUPAC name is 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane.

Molecular Properties

Compound Name5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane
PubChem CID20793160
Molecular FormulaC7H8F6O
Molecular Weight222.13 g/mol
Exact Mass222.05
IUPAC Name5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane
SMILESCC(F)(F)C1(F)CC(CF)C(F)(F)O1
InChIInChI=1S/C7H8F6O/c1-5(9,10)6(11)2-4(3-8)7(12,13)14-6/h4H,2-3H2,1H3
InChIKeyWNZBAQHMGUDTLB-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane?
The IUPAC name of 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane (CID 20793160) is 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane.
What is the SMILES notation for 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane?
The canonical SMILES for 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane is CC(F)(F)C1(F)CC(CF)C(F)(F)O1.
What is the InChIKey of 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane?
The InChIKey is WNZBAQHMGUDTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F6O/c1-5(9,10)6(11)2-4(3-8)7(12,13)14-6/h4H,2-3H2,1H3.
What are the key properties of 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane?
5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane has a molecular weight of 222.13 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1-difluoroethyl)-2,2,5-trifluoro-3-(fluoromethyl)oxolane is sourced from PubChem (CID 20793160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).