1-ethoxy-1,1-difluoro-5-methylheptane

C10H20F2O — CID 173466732

IUPAC1-ethoxy-1,1-difluoro-5-methylheptane
SMILESCCOC(F)(F)CCCC(C)CC
InChIInChI=1S/C10H20F2O/c1-4-9(3)7-6-8-10(11,12)13-5-2/h9H,4-8H2,1-3H3
InChIKeyYPUZRFFEBRTVPR-UHFFFAOYSA-N
MW194.26 g/mol
LogP3.83
Rot. Bonds7

About 1-ethoxy-1,1-difluoro-5-methylheptane

1-ethoxy-1,1-difluoro-5-methylheptane (PubChem CID 173466732) has the molecular formula C10H20F2O and a molecular weight of 194.26 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluoro-5-methylheptane.

Molecular Properties

Compound Name1-ethoxy-1,1-difluoro-5-methylheptane
PubChem CID173466732
Molecular FormulaC10H20F2O
Molecular Weight194.26 g/mol
Exact Mass194.15
IUPAC Name1-ethoxy-1,1-difluoro-5-methylheptane
SMILESCCOC(F)(F)CCCC(C)CC
InChIInChI=1S/C10H20F2O/c1-4-9(3)7-6-8-10(11,12)13-5-2/h9H,4-8H2,1-3H3
InChIKeyYPUZRFFEBRTVPR-UHFFFAOYSA-N
XLogP3.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 53.83
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-5-methylheptane?
The IUPAC name of 1-ethoxy-1,1-difluoro-5-methylheptane (CID 173466732) is 1-ethoxy-1,1-difluoro-5-methylheptane.
What is the SMILES notation for 1-ethoxy-1,1-difluoro-5-methylheptane?
The canonical SMILES for 1-ethoxy-1,1-difluoro-5-methylheptane is CCOC(F)(F)CCCC(C)CC.
What is the InChIKey of 1-ethoxy-1,1-difluoro-5-methylheptane?
The InChIKey is YPUZRFFEBRTVPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F2O/c1-4-9(3)7-6-8-10(11,12)13-5-2/h9H,4-8H2,1-3H3.
What are the key properties of 1-ethoxy-1,1-difluoro-5-methylheptane?
1-ethoxy-1,1-difluoro-5-methylheptane has a molecular weight of 194.26 g/mol, XLogP of 3.83, 7 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-5-methylheptane is sourced from PubChem (CID 173466732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).