4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane

C8H9F7O — CID 58731911

IUPAC4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
SMILESCC1C(F)(F)OCC(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C8H9F7O/c1-4-7(13,5(2,9)10)6(11,12)3-16-8(4,14)15/h4H,3H2,1-2H3
InChIKeyQRCCQTUPPFPJQL-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.24
Rot. Bonds1

About 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane

4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane (PubChem CID 58731911) has the molecular formula C8H9F7O and a molecular weight of 254.14 g/mol. Its IUPAC name is 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane.

Molecular Properties

Compound Name4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
PubChem CID58731911
Molecular FormulaC8H9F7O
Molecular Weight254.14 g/mol
Exact Mass254.05
IUPAC Name4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane
SMILESCC1C(F)(F)OCC(F)(F)C1(F)C(C)(F)F
InChIInChI=1S/C8H9F7O/c1-4-7(13,5(2,9)10)6(11,12)3-16-8(4,14)15/h4H,3H2,1-2H3
InChIKeyQRCCQTUPPFPJQL-UHFFFAOYSA-N
XLogP3.24
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane?
The IUPAC name of 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane (CID 58731911) is 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane.
What is the SMILES notation for 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane?
The canonical SMILES for 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane is CC1C(F)(F)OCC(F)(F)C1(F)C(C)(F)F.
What is the InChIKey of 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane?
The InChIKey is QRCCQTUPPFPJQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O/c1-4-7(13,5(2,9)10)6(11,12)3-16-8(4,14)15/h4H,3H2,1-2H3.
What are the key properties of 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane?
4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane has a molecular weight of 254.14 g/mol, XLogP of 3.24, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,1-difluoroethyl)-2,2,4,5,5-pentafluoro-3-methyloxane is sourced from PubChem (CID 58731911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).