2,2-difluoro-5-methyloxane

C6H10F2O — CID 59876024

IUPAC2,2-difluoro-5-methyloxane
SMILESCC1CCC(F)(F)OC1
InChIInChI=1S/C6H10F2O/c1-5-2-3-6(7,8)9-4-5/h5H,2-4H2,1H3
InChIKeyKVYIMTNQWOFXMR-UHFFFAOYSA-N
MW136.14 g/mol
LogP2.03
Rot. Bonds

About 2,2-difluoro-5-methyloxane

2,2-difluoro-5-methyloxane (PubChem CID 59876024) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2,2-difluoro-5-methyloxane.

Molecular Properties

Compound Name2,2-difluoro-5-methyloxane
PubChem CID59876024
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2,2-difluoro-5-methyloxane
SMILESCC1CCC(F)(F)OC1
InChIInChI=1S/C6H10F2O/c1-5-2-3-6(7,8)9-4-5/h5H,2-4H2,1H3
InChIKeyKVYIMTNQWOFXMR-UHFFFAOYSA-N
XLogP2.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-5-methyloxane?
The IUPAC name of 2,2-difluoro-5-methyloxane (CID 59876024) is 2,2-difluoro-5-methyloxane.
What is the SMILES notation for 2,2-difluoro-5-methyloxane?
The canonical SMILES for 2,2-difluoro-5-methyloxane is CC1CCC(F)(F)OC1.
What is the InChIKey of 2,2-difluoro-5-methyloxane?
The InChIKey is KVYIMTNQWOFXMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-5-2-3-6(7,8)9-4-5/h5H,2-4H2,1H3.
What are the key properties of 2,2-difluoro-5-methyloxane?
2,2-difluoro-5-methyloxane has a molecular weight of 136.14 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-5-methyloxane is sourced from PubChem (CID 59876024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).