2,2-difluoro-1-methoxy-4-methylpentane

C7H14F2O — CID 59458528

IUPAC2,2-difluoro-1-methoxy-4-methylpentane
SMILESCOCC(F)(F)CC(C)C
InChIInChI=1S/C7H14F2O/c1-6(2)4-7(8,9)5-10-3/h6H,4-5H2,1-3H3
InChIKeyQAKKQBUZKWNYOA-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.31
Rot. Bonds4

About 2,2-difluoro-1-methoxy-4-methylpentane

2,2-difluoro-1-methoxy-4-methylpentane (PubChem CID 59458528) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 2,2-difluoro-1-methoxy-4-methylpentane.

Molecular Properties

Compound Name2,2-difluoro-1-methoxy-4-methylpentane
PubChem CID59458528
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name2,2-difluoro-1-methoxy-4-methylpentane
SMILESCOCC(F)(F)CC(C)C
InChIInChI=1S/C7H14F2O/c1-6(2)4-7(8,9)5-10-3/h6H,4-5H2,1-3H3
InChIKeyQAKKQBUZKWNYOA-UHFFFAOYSA-N
XLogP2.31
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.18
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-methoxy-4-methylpentane?
The IUPAC name of 2,2-difluoro-1-methoxy-4-methylpentane (CID 59458528) is 2,2-difluoro-1-methoxy-4-methylpentane.
What is the SMILES notation for 2,2-difluoro-1-methoxy-4-methylpentane?
The canonical SMILES for 2,2-difluoro-1-methoxy-4-methylpentane is COCC(F)(F)CC(C)C.
What is the InChIKey of 2,2-difluoro-1-methoxy-4-methylpentane?
The InChIKey is QAKKQBUZKWNYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-6(2)4-7(8,9)5-10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-1-methoxy-4-methylpentane?
2,2-difluoro-1-methoxy-4-methylpentane has a molecular weight of 152.18 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-methoxy-4-methylpentane is sourced from PubChem (CID 59458528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).