2,2-difluoro-1-methoxy-3-methylpentane

C7H14F2O — CID 89321251

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

About 2,2-difluoro-1-methoxy-3-methylpentane

2,2-difluoro-1-methoxy-3-methylpentane (PubChem CID 89321251) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 2,2-difluoro-1-methoxy-3-methylpentane.

Molecular Properties

Compound Name2,2-difluoro-1-methoxy-3-methylpentane
PubChem CID89321251
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name2,2-difluoro-1-methoxy-3-methylpentane
SMILESCCC(C)C(F)(F)COC
InChIInChI=1S/C7H14F2O/c1-4-6(2)7(8,9)5-10-3/h6H,4-5H2,1-3H3
InChIKeyLIXQBRHDNUHWKL-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-3-methylpentane?
The IUPAC name of 2,2-difluoro-1-methoxy-3-methylpentane (CID 89321251) is 2,2-difluoro-1-methoxy-3-methylpentane.
What is the SMILES notation for 2,2-difluoro-1-methoxy-3-methylpentane?
The canonical SMILES for 2,2-difluoro-1-methoxy-3-methylpentane is CCC(C)C(F)(F)COC.
What is the InChIKey of 2,2-difluoro-1-methoxy-3-methylpentane?
The InChIKey is LIXQBRHDNUHWKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-4-6(2)7(8,9)5-10-3/h6H,4-5H2,1-3H3.
What are the key properties of 2,2-difluoro-1-methoxy-3-methylpentane?
2,2-difluoro-1-methoxy-3-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-3-methylpentane is sourced from PubChem (CID 89321251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).