4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane

C11H20F2O — CID 176824931

IUPAC4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane
SMILESCC(C)(C)CC1(C(F)F)CCOCC1
InChIInChI=1S/C11H20F2O/c1-10(2,3)8-11(9(12)13)4-6-14-7-5-11/h9H,4-8H2,1-3H3
InChIKeyMXGSTUMGHKPLJL-UHFFFAOYSA-N
MW206.28 g/mol
LogP3.48
Rot. Bonds2

About 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane

4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane (PubChem CID 176824931) has the molecular formula C11H20F2O and a molecular weight of 206.28 g/mol. Its IUPAC name is 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane.

Molecular Properties

Compound Name4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane
PubChem CID176824931
Molecular FormulaC11H20F2O
Molecular Weight206.28 g/mol
Exact Mass206.15
IUPAC Name4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane
SMILESCC(C)(C)CC1(C(F)F)CCOCC1
InChIInChI=1S/C11H20F2O/c1-10(2,3)8-11(9(12)13)4-6-14-7-5-11/h9H,4-8H2,1-3H3
InChIKeyMXGSTUMGHKPLJL-UHFFFAOYSA-N
XLogP3.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.28
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane?
The IUPAC name of 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane (CID 176824931) is 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane.
What is the SMILES notation for 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane?
The canonical SMILES for 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane is CC(C)(C)CC1(C(F)F)CCOCC1.
What is the InChIKey of 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane?
The InChIKey is MXGSTUMGHKPLJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2O/c1-10(2,3)8-11(9(12)13)4-6-14-7-5-11/h9H,4-8H2,1-3H3.
What are the key properties of 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane?
4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane has a molecular weight of 206.28 g/mol, XLogP of 3.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-4-(2,2-dimethylpropyl)oxane is sourced from PubChem (CID 176824931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).