2-(difluoromethoxy)-2-methylpropane

C5H10F2O — CID 21027140

IUPAC2-(difluoromethoxy)-2-methylpropane
SMILESCC(C)(C)OC(F)F
InChIInChI=1S/C5H10F2O/c1-5(2,3)8-4(6)7/h4H,1-3H3
InChIKeyDHGAOUPIXQHXGJ-UHFFFAOYSA-N
MW124.13 g/mol
LogP2.02
Rot. Bonds1

About 2-(difluoromethoxy)-2-methylpropane

2-(difluoromethoxy)-2-methylpropane (PubChem CID 21027140) has the molecular formula C5H10F2O and a molecular weight of 124.13 g/mol. Its IUPAC name is 2-(difluoromethoxy)-2-methylpropane.

Molecular Properties

Compound Name2-(difluoromethoxy)-2-methylpropane
PubChem CID21027140
Molecular FormulaC5H10F2O
Molecular Weight124.13 g/mol
Exact Mass124.07
IUPAC Name2-(difluoromethoxy)-2-methylpropane
SMILESCC(C)(C)OC(F)F
InChIInChI=1S/C5H10F2O/c1-5(2,3)8-4(6)7/h4H,1-3H3
InChIKeyDHGAOUPIXQHXGJ-UHFFFAOYSA-N
XLogP2.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.13
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-2-methylpropane?
The IUPAC name of 2-(difluoromethoxy)-2-methylpropane (CID 21027140) is 2-(difluoromethoxy)-2-methylpropane.
What is the SMILES notation for 2-(difluoromethoxy)-2-methylpropane?
The canonical SMILES for 2-(difluoromethoxy)-2-methylpropane is CC(C)(C)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-2-methylpropane?
The InChIKey is DHGAOUPIXQHXGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F2O/c1-5(2,3)8-4(6)7/h4H,1-3H3.
What are the key properties of 2-(difluoromethoxy)-2-methylpropane?
2-(difluoromethoxy)-2-methylpropane has a molecular weight of 124.13 g/mol, XLogP of 2.02, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-2-methylpropane is sourced from PubChem (CID 21027140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).