1-(difluoromethoxy)-4-methylpentane

C7H14F2O — CID 87379260

IUPAC1-(difluoromethoxy)-4-methylpentane
SMILESCC(C)CCCOC(F)F
InChIInChI=1S/C7H14F2O/c1-6(2)4-3-5-10-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeySJTJBSIOAJGGFN-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.66
Rot. Bonds5

About 1-(difluoromethoxy)-4-methylpentane

1-(difluoromethoxy)-4-methylpentane (PubChem CID 87379260) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(difluoromethoxy)-4-methylpentane.

Molecular Properties

Compound Name1-(difluoromethoxy)-4-methylpentane
PubChem CID87379260
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-(difluoromethoxy)-4-methylpentane
SMILESCC(C)CCCOC(F)F
InChIInChI=1S/C7H14F2O/c1-6(2)4-3-5-10-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeySJTJBSIOAJGGFN-UHFFFAOYSA-N
XLogP2.66
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.66
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-(difluoromethoxy)-4-methylpentane?
The IUPAC name of 1-(difluoromethoxy)-4-methylpentane (CID 87379260) is 1-(difluoromethoxy)-4-methylpentane.
What is the SMILES notation for 1-(difluoromethoxy)-4-methylpentane?
The canonical SMILES for 1-(difluoromethoxy)-4-methylpentane is CC(C)CCCOC(F)F.
What is the InChIKey of 1-(difluoromethoxy)-4-methylpentane?
The InChIKey is SJTJBSIOAJGGFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-6(2)4-3-5-10-7(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(difluoromethoxy)-4-methylpentane?
1-(difluoromethoxy)-4-methylpentane has a molecular weight of 152.18 g/mol, XLogP of 2.66, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethoxy)-4-methylpentane is sourced from PubChem (CID 87379260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).