1-(2,2-difluoroethoxy)-4-methylpentane

C8H16F2O — CID 87069343

IUPAC1-(2,2-difluoroethoxy)-4-methylpentane
SMILESCC(C)CCCOCC(F)F
InChIInChI=1S/C8H16F2O/c1-7(2)4-3-5-11-6-8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyKDFRKNZQYNODEI-UHFFFAOYSA-N
MW166.21 g/mol
LogP2.70
Rot. Bonds6

About 1-(2,2-difluoroethoxy)-4-methylpentane

1-(2,2-difluoroethoxy)-4-methylpentane (PubChem CID 87069343) has the molecular formula C8H16F2O and a molecular weight of 166.21 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-4-methylpentane
PubChem CID87069343
Molecular FormulaC8H16F2O
Molecular Weight166.21 g/mol
Exact Mass166.12
IUPAC Name1-(2,2-difluoroethoxy)-4-methylpentane
SMILESCC(C)CCCOCC(F)F
InChIInChI=1S/C8H16F2O/c1-7(2)4-3-5-11-6-8(9)10/h7-8H,3-6H2,1-2H3
InChIKeyKDFRKNZQYNODEI-UHFFFAOYSA-N
XLogP2.70
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.21
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentane?
The IUPAC name of 1-(2,2-difluoroethoxy)-4-methylpentane (CID 87069343) is 1-(2,2-difluoroethoxy)-4-methylpentane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-4-methylpentane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-4-methylpentane is CC(C)CCCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-4-methylpentane?
The InChIKey is KDFRKNZQYNODEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O/c1-7(2)4-3-5-11-6-8(9)10/h7-8H,3-6H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-4-methylpentane?
1-(2,2-difluoroethoxy)-4-methylpentane has a molecular weight of 166.21 g/mol, XLogP of 2.70, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-4-methylpentane is sourced from PubChem (CID 87069343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).