1-(2,2-difluoroethoxy)-3-methylbutane

C7H14F2O — CID 58853917

IUPAC1-(2,2-difluoroethoxy)-3-methylbutane
SMILESCC(C)CCOCC(F)F
InChIInChI=1S/C7H14F2O/c1-6(2)3-4-10-5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyQLIKNIKCSYMYMR-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.31
Rot. Bonds5

About 1-(2,2-difluoroethoxy)-3-methylbutane

1-(2,2-difluoroethoxy)-3-methylbutane (PubChem CID 58853917) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-(2,2-difluoroethoxy)-3-methylbutane.

Molecular Properties

Compound Name1-(2,2-difluoroethoxy)-3-methylbutane
PubChem CID58853917
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-(2,2-difluoroethoxy)-3-methylbutane
SMILESCC(C)CCOCC(F)F
InChIInChI=1S/C7H14F2O/c1-6(2)3-4-10-5-7(8)9/h6-7H,3-5H2,1-2H3
InChIKeyQLIKNIKCSYMYMR-UHFFFAOYSA-N
XLogP2.31
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 ≤ 52.31
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)-3-methylbutane?
The IUPAC name of 1-(2,2-difluoroethoxy)-3-methylbutane (CID 58853917) is 1-(2,2-difluoroethoxy)-3-methylbutane.
What is the SMILES notation for 1-(2,2-difluoroethoxy)-3-methylbutane?
The canonical SMILES for 1-(2,2-difluoroethoxy)-3-methylbutane is CC(C)CCOCC(F)F.
What is the InChIKey of 1-(2,2-difluoroethoxy)-3-methylbutane?
The InChIKey is QLIKNIKCSYMYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-6(2)3-4-10-5-7(8)9/h6-7H,3-5H2,1-2H3.
What are the key properties of 1-(2,2-difluoroethoxy)-3-methylbutane?
1-(2,2-difluoroethoxy)-3-methylbutane has a molecular weight of 152.18 g/mol, XLogP of 2.31, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethoxy)-3-methylbutane is sourced from PubChem (CID 58853917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).