1-ethoxy-1,1-difluoro-4-methylhexane

C9H18F2O — CID 173466733

IUPAC1-ethoxy-1,1-difluoro-4-methylhexane
SMILESCCOC(F)(F)CCC(C)CC
InChIInChI=1S/C9H18F2O/c1-4-8(3)6-7-9(10,11)12-5-2/h8H,4-7H2,1-3H3
InChIKeyZRBUWKJXHLRJDS-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.44
Rot. Bonds6

About 1-ethoxy-1,1-difluoro-4-methylhexane

1-ethoxy-1,1-difluoro-4-methylhexane (PubChem CID 173466733) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 1-ethoxy-1,1-difluoro-4-methylhexane.

Molecular Properties

Compound Name1-ethoxy-1,1-difluoro-4-methylhexane
PubChem CID173466733
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name1-ethoxy-1,1-difluoro-4-methylhexane
SMILESCCOC(F)(F)CCC(C)CC
InChIInChI=1S/C9H18F2O/c1-4-8(3)6-7-9(10,11)12-5-2/h8H,4-7H2,1-3H3
InChIKeyZRBUWKJXHLRJDS-UHFFFAOYSA-N
XLogP3.44
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.44
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-4-methylhexane?
The IUPAC name of 1-ethoxy-1,1-difluoro-4-methylhexane (CID 173466733) is 1-ethoxy-1,1-difluoro-4-methylhexane.
What is the SMILES notation for 1-ethoxy-1,1-difluoro-4-methylhexane?
The canonical SMILES for 1-ethoxy-1,1-difluoro-4-methylhexane is CCOC(F)(F)CCC(C)CC.
What is the InChIKey of 1-ethoxy-1,1-difluoro-4-methylhexane?
The InChIKey is ZRBUWKJXHLRJDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-4-8(3)6-7-9(10,11)12-5-2/h8H,4-7H2,1-3H3.
What are the key properties of 1-ethoxy-1,1-difluoro-4-methylhexane?
1-ethoxy-1,1-difluoro-4-methylhexane has a molecular weight of 180.24 g/mol, XLogP of 3.44, 6 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-4-methylhexane is sourced from PubChem (CID 173466733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).