3-(difluoromethoxymethyl)-2,4-dimethylpentane

C9H18F2O — CID 59610758

IUPAC3-(difluoromethoxymethyl)-2,4-dimethylpentane
SMILESCC(C)C(COC(F)F)C(C)C
InChIInChI=1S/C9H18F2O/c1-6(2)8(7(3)4)5-12-9(10)11/h6-9H,5H2,1-4H3
InChIKeySCOQXAVQLYDSLH-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.15
Rot. Bonds5

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

3-(difluoromethoxymethyl)-2,4-dimethylpentane (PubChem CID 59610758) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 3-(difluoromethoxymethyl)-2,4-dimethylpentane.

Molecular Properties

Compound Name3-(difluoromethoxymethyl)-2,4-dimethylpentane
PubChem CID59610758
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name3-(difluoromethoxymethyl)-2,4-dimethylpentane
SMILESCC(C)C(COC(F)F)C(C)C
InChIInChI=1S/C9H18F2O/c1-6(2)8(7(3)4)5-12-9(10)11/h6-9H,5H2,1-4H3
InChIKeySCOQXAVQLYDSLH-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxymethyl)-2,4-dimethylpentane?
The IUPAC name of 3-(difluoromethoxymethyl)-2,4-dimethylpentane (CID 59610758) is 3-(difluoromethoxymethyl)-2,4-dimethylpentane.
What is the SMILES notation for 3-(difluoromethoxymethyl)-2,4-dimethylpentane?
The canonical SMILES for 3-(difluoromethoxymethyl)-2,4-dimethylpentane is CC(C)C(COC(F)F)C(C)C.
What is the InChIKey of 3-(difluoromethoxymethyl)-2,4-dimethylpentane?
The InChIKey is SCOQXAVQLYDSLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-6(2)8(7(3)4)5-12-9(10)11/h6-9H,5H2,1-4H3.
What are the key properties of 3-(difluoromethoxymethyl)-2,4-dimethylpentane?
3-(difluoromethoxymethyl)-2,4-dimethylpentane has a molecular weight of 180.24 g/mol, XLogP of 3.15, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxymethyl)-2,4-dimethylpentane is sourced from PubChem (CID 59610758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).