2-(difluoromethoxy)-3,4-dimethylpentane

C8H16F2O — CID 88545445

IUPAC2-(difluoromethoxy)-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)OC(F)F
InChIInChI=1S/C8H16F2O/c1-5(2)6(3)7(4)11-8(9)10/h5-8H,1-4H3
InChIKeyGHHQKESPZQVNNZ-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.91
Rot. Bonds4

About 2-(difluoromethoxy)-3,4-dimethylpentane

2-(difluoromethoxy)-3,4-dimethylpentane (PubChem CID 88545445) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 2-(difluoromethoxy)-3,4-dimethylpentane.

Molecular Properties

Compound Name2-(difluoromethoxy)-3,4-dimethylpentane
PubChem CID88545445
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name2-(difluoromethoxy)-3,4-dimethylpentane
SMILESCC(C)C(C)C(C)OC(F)F
InChIInChI=1S/C8H16F2O/c1-5(2)6(3)7(4)11-8(9)10/h5-8H,1-4H3
InChIKeyGHHQKESPZQVNNZ-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-3,4-dimethylpentane?
The IUPAC name of 2-(difluoromethoxy)-3,4-dimethylpentane (CID 88545445) is 2-(difluoromethoxy)-3,4-dimethylpentane.
What is the SMILES notation for 2-(difluoromethoxy)-3,4-dimethylpentane?
The canonical SMILES for 2-(difluoromethoxy)-3,4-dimethylpentane is CC(C)C(C)C(C)OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-3,4-dimethylpentane?
The InChIKey is GHHQKESPZQVNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-5(2)6(3)7(4)11-8(9)10/h5-8H,1-4H3.
What are the key properties of 2-(difluoromethoxy)-3,4-dimethylpentane?
2-(difluoromethoxy)-3,4-dimethylpentane has a molecular weight of 166.21 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-3,4-dimethylpentane is sourced from PubChem (CID 88545445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).