2-(difluoromethyl)-4-methyloxolane

C6H10F2O — CID 171762021

IUPAC2-(difluoromethyl)-4-methyloxolane
SMILESCC1COC(C(F)F)C1
InChIInChI=1S/C6H10F2O/c1-4-2-5(6(7)8)9-3-4/h4-6H,2-3H2,1H3
InChIKeyAMUJMIZVNNKSJC-UHFFFAOYSA-N
MW136.14 g/mol
LogP1.68
Rot. Bonds1

About 2-(difluoromethyl)-4-methyloxolane

2-(difluoromethyl)-4-methyloxolane (PubChem CID 171762021) has the molecular formula C6H10F2O and a molecular weight of 136.14 g/mol. Its IUPAC name is 2-(difluoromethyl)-4-methyloxolane.

Molecular Properties

Compound Name2-(difluoromethyl)-4-methyloxolane
PubChem CID171762021
Molecular FormulaC6H10F2O
Molecular Weight136.14 g/mol
Exact Mass136.07
IUPAC Name2-(difluoromethyl)-4-methyloxolane
SMILESCC1COC(C(F)F)C1
InChIInChI=1S/C6H10F2O/c1-4-2-5(6(7)8)9-3-4/h4-6H,2-3H2,1H3
InChIKeyAMUJMIZVNNKSJC-UHFFFAOYSA-N
XLogP1.68
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.14
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-4-methyloxolane?
The IUPAC name of 2-(difluoromethyl)-4-methyloxolane (CID 171762021) is 2-(difluoromethyl)-4-methyloxolane.
What is the SMILES notation for 2-(difluoromethyl)-4-methyloxolane?
The canonical SMILES for 2-(difluoromethyl)-4-methyloxolane is CC1COC(C(F)F)C1.
What is the InChIKey of 2-(difluoromethyl)-4-methyloxolane?
The InChIKey is AMUJMIZVNNKSJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F2O/c1-4-2-5(6(7)8)9-3-4/h4-6H,2-3H2,1H3.
What are the key properties of 2-(difluoromethyl)-4-methyloxolane?
2-(difluoromethyl)-4-methyloxolane has a molecular weight of 136.14 g/mol, XLogP of 1.68, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-4-methyloxolane is sourced from PubChem (CID 171762021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).