4-(difluoromethyl)-4-methyloxane

C7H12F2O — CID 67569542

IUPAC4-(difluoromethyl)-4-methyloxane
SMILESCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H12F2O/c1-7(6(8)9)2-4-10-5-3-7/h6H,2-5H2,1H3
InChIKeyJCASWINKGVUZCP-UHFFFAOYSA-N
MW150.17 g/mol
LogP2.07
Rot. Bonds1

About 4-(difluoromethyl)-4-methyloxane

4-(difluoromethyl)-4-methyloxane (PubChem CID 67569542) has the molecular formula C7H12F2O and a molecular weight of 150.17 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-methyloxane.

Molecular Properties

Compound Name4-(difluoromethyl)-4-methyloxane
PubChem CID67569542
Molecular FormulaC7H12F2O
Molecular Weight150.17 g/mol
Exact Mass150.09
IUPAC Name4-(difluoromethyl)-4-methyloxane
SMILESCC1(C(F)F)CCOCC1
InChIInChI=1S/C7H12F2O/c1-7(6(8)9)2-4-10-5-3-7/h6H,2-5H2,1H3
InChIKeyJCASWINKGVUZCP-UHFFFAOYSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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-(difluoromethyl)-4-methyloxane?
The IUPAC name of 4-(difluoromethyl)-4-methyloxane (CID 67569542) is 4-(difluoromethyl)-4-methyloxane.
What is the SMILES notation for 4-(difluoromethyl)-4-methyloxane?
The canonical SMILES for 4-(difluoromethyl)-4-methyloxane is CC1(C(F)F)CCOCC1.
What is the InChIKey of 4-(difluoromethyl)-4-methyloxane?
The InChIKey is JCASWINKGVUZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2O/c1-7(6(8)9)2-4-10-5-3-7/h6H,2-5H2,1H3.
What are the key properties of 4-(difluoromethyl)-4-methyloxane?
4-(difluoromethyl)-4-methyloxane has a molecular weight of 150.17 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-methyloxane is sourced from PubChem (CID 67569542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).