4,4-difluoro-2,3-dimethyloxane

C7H12F2O — CID 67977153

IUPAC4,4-difluoro-2,3-dimethyloxane
SMILESCC1OCCC(F)(F)C1C
InChIInChI=1S/C7H12F2O/c1-5-6(2)10-4-3-7(5,8)9/h5-6H,3-4H2,1-2H3
InChIKeyIWCSFGMOPRVQLW-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.07
Rot. Bonds

About 4,4-difluoro-2,3-dimethyloxane

4,4-difluoro-2,3-dimethyloxane (PubChem CID 67977153) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4,4-difluoro-2,3-dimethyloxane.

Molecular Properties

Compound Name4,4-difluoro-2,3-dimethyloxane
PubChem CID67977153
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4,4-difluoro-2,3-dimethyloxane
SMILESCC1OCCC(F)(F)C1C
InChIInChI=1S/C7H12F2O/c1-5-6(2)10-4-3-7(5,8)9/h5-6H,3-4H2,1-2H3
InChIKeyIWCSFGMOPRVQLW-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.17
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-2,3-dimethyloxane?
The IUPAC name of 4,4-difluoro-2,3-dimethyloxane (CID 67977153) is 4,4-difluoro-2,3-dimethyloxane.
What is the SMILES notation for 4,4-difluoro-2,3-dimethyloxane?
The canonical SMILES for 4,4-difluoro-2,3-dimethyloxane is CC1OCCC(F)(F)C1C.
What is the InChIKey of 4,4-difluoro-2,3-dimethyloxane?
The InChIKey is IWCSFGMOPRVQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-5-6(2)10-4-3-7(5,8)9/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,4-difluoro-2,3-dimethyloxane?
4,4-difluoro-2,3-dimethyloxane has a molecular weight of 150.17 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2,3-dimethyloxane is sourced from PubChem (CID 67977153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).