1-ethoxy-1,1-difluoro-2-methylbutane

C7H14F2O — CID 20802235

IUPAC1-ethoxy-1,1-difluoro-2-methylbutane
SMILESCCOC(F)(F)C(C)CC
InChIInChI=1S/C7H14F2O/c1-4-6(3)7(8,9)10-5-2/h6H,4-5H2,1-3H3
InChIKeyOKETUGKKVPXWPU-UHFFFAOYSA-N
MW152.18 g/mol
LogP2.66
Rot. Bonds4

About 1-ethoxy-1,1-difluoro-2-methylbutane

1-ethoxy-1,1-difluoro-2-methylbutane (PubChem CID 20802235) has the molecular formula C7H14F2O and a molecular weight of 152.18 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluoro-2-methylbutane.

Molecular Properties

Compound Name1-ethoxy-1,1-difluoro-2-methylbutane
PubChem CID20802235
Molecular FormulaC7H14F2O
Molecular Weight152.18 g/mol
Exact Mass152.10
IUPAC Name1-ethoxy-1,1-difluoro-2-methylbutane
SMILESCCOC(F)(F)C(C)CC
InChIInChI=1S/C7H14F2O/c1-4-6(3)7(8,9)10-5-2/h6H,4-5H2,1-3H3
InChIKeyOKETUGKKVPXWPU-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-ethoxy-1,1-difluoro-2-methylbutane?
The IUPAC name of 1-ethoxy-1,1-difluoro-2-methylbutane (CID 20802235) is 1-ethoxy-1,1-difluoro-2-methylbutane.
What is the SMILES notation for 1-ethoxy-1,1-difluoro-2-methylbutane?
The canonical SMILES for 1-ethoxy-1,1-difluoro-2-methylbutane is CCOC(F)(F)C(C)CC.
What is the InChIKey of 1-ethoxy-1,1-difluoro-2-methylbutane?
The InChIKey is OKETUGKKVPXWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2O/c1-4-6(3)7(8,9)10-5-2/h6H,4-5H2,1-3H3.
What are the key properties of 1-ethoxy-1,1-difluoro-2-methylbutane?
1-ethoxy-1,1-difluoro-2-methylbutane has a molecular weight of 152.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-1,1-difluoro-2-methylbutane is sourced from PubChem (CID 20802235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).