4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane

C11H22F2O — CID 154612081

IUPAC4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane
SMILESCCCC(C)(CC)CC(F)(F)COC
InChIInChI=1S/C11H22F2O/c1-5-7-10(3,6-2)8-11(12,13)9-14-4/h5-9H2,1-4H3
InChIKeyWZPZPTVSLDJNNG-UHFFFAOYSA-N
MW208.29 g/mol
LogP3.87
Rot. Bonds7

About 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane

4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane (PubChem CID 154612081) has the molecular formula C11H22F2O and a molecular weight of 208.29 g/mol. Its IUPAC name is 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane.

Molecular Properties

Compound Name4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane
PubChem CID154612081
Molecular FormulaC11H22F2O
Molecular Weight208.29 g/mol
Exact Mass208.16
IUPAC Name4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane
SMILESCCCC(C)(CC)CC(F)(F)COC
InChIInChI=1S/C11H22F2O/c1-5-7-10(3,6-2)8-11(12,13)9-14-4/h5-9H2,1-4H3
InChIKeyWZPZPTVSLDJNNG-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane?
The IUPAC name of 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane (CID 154612081) is 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane.
What is the SMILES notation for 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane?
The canonical SMILES for 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane is CCCC(C)(CC)CC(F)(F)COC.
What is the InChIKey of 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane?
The InChIKey is WZPZPTVSLDJNNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F2O/c1-5-7-10(3,6-2)8-11(12,13)9-14-4/h5-9H2,1-4H3.
What are the key properties of 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane?
4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane has a molecular weight of 208.29 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2,2-difluoro-1-methoxy-4-methylheptane is sourced from PubChem (CID 154612081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).