1,1-difluoro-4-methoxy-7-methyl-4-propyloctane

C13H26F2O — CID 145189890

IUPAC1,1-difluoro-4-methoxy-7-methyl-4-propyloctane
SMILESCCCC(CCC(C)C)(CCC(F)F)OC
InChIInChI=1S/C13H26F2O/c1-5-8-13(16-4,9-6-11(2)3)10-7-12(14)15/h11-12H,5-10H2,1-4H3
InChIKeyBBDDEMXCVRFPHG-UHFFFAOYSA-N
MW236.35 g/mol
LogP4.65
Rot. Bonds9

About 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane

1,1-difluoro-4-methoxy-7-methyl-4-propyloctane (PubChem CID 145189890) has the molecular formula C13H26F2O and a molecular weight of 236.35 g/mol. Its IUPAC name is 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane.

Molecular Properties

Compound Name1,1-difluoro-4-methoxy-7-methyl-4-propyloctane
PubChem CID145189890
Molecular FormulaC13H26F2O
Molecular Weight236.35 g/mol
Exact Mass236.20
IUPAC Name1,1-difluoro-4-methoxy-7-methyl-4-propyloctane
SMILESCCCC(CCC(C)C)(CCC(F)F)OC
InChIInChI=1S/C13H26F2O/c1-5-8-13(16-4,9-6-11(2)3)10-7-12(14)15/h11-12H,5-10H2,1-4H3
InChIKeyBBDDEMXCVRFPHG-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.35
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane?
The IUPAC name of 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane (CID 145189890) is 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane.
What is the SMILES notation for 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane?
The canonical SMILES for 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane is CCCC(CCC(C)C)(CCC(F)F)OC.
What is the InChIKey of 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane?
The InChIKey is BBDDEMXCVRFPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26F2O/c1-5-8-13(16-4,9-6-11(2)3)10-7-12(14)15/h11-12H,5-10H2,1-4H3.
What are the key properties of 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane?
1,1-difluoro-4-methoxy-7-methyl-4-propyloctane has a molecular weight of 236.35 g/mol, XLogP of 4.65, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-4-methoxy-7-methyl-4-propyloctane is sourced from PubChem (CID 145189890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).