1,1-difluoro-1-methoxyoctane

C9H18F2O — CID 11332828

IUPAC1,1-difluoro-1-methoxyoctane
SMILESCCCCCCCC(F)(F)OC
InChIInChI=1S/C9H18F2O/c1-3-4-5-6-7-8-9(10,11)12-2/h3-8H2,1-2H3
InChIKeyXYIUUHDAEPJOQU-UHFFFAOYSA-N
MW180.24 g/mol
LogP3.59
Rot. Bonds7

About 1,1-difluoro-1-methoxyoctane

1,1-difluoro-1-methoxyoctane (PubChem CID 11332828) has the molecular formula C9H18F2O and a molecular weight of 180.24 g/mol. Its IUPAC name is 1,1-difluoro-1-methoxyoctane.

Molecular Properties

Compound Name1,1-difluoro-1-methoxyoctane
PubChem CID11332828
Molecular FormulaC9H18F2O
Molecular Weight180.24 g/mol
Exact Mass180.13
IUPAC Name1,1-difluoro-1-methoxyoctane
SMILESCCCCCCCC(F)(F)OC
InChIInChI=1S/C9H18F2O/c1-3-4-5-6-7-8-9(10,11)12-2/h3-8H2,1-2H3
InChIKeyXYIUUHDAEPJOQU-UHFFFAOYSA-N
XLogP3.59
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
1,1-Difluoro-2-dodecyloxyethene
CID 121408638
8-Ethoxy-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane
CID 19598606
1-Fluoro-9-methoxynonane
CID 12120925
1-(2,2,2-Trifluoroethoxy)docosane
CID 86009221
1-(Trifluoromethoxy)dodecane
CID 101034469
1-[Chloro(difluoro)methoxy]octane
CID 101034472
Methyl dodecafluoroheptyl ether
CID 129763205
1-(2,3-Difluoropropoxy)dodecane
CID 155931605

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-1-methoxyoctane?
The IUPAC name of 1,1-difluoro-1-methoxyoctane (CID 11332828) is 1,1-difluoro-1-methoxyoctane.
What is the SMILES notation for 1,1-difluoro-1-methoxyoctane?
The canonical SMILES for 1,1-difluoro-1-methoxyoctane is CCCCCCCC(F)(F)OC.
What is the InChIKey of 1,1-difluoro-1-methoxyoctane?
The InChIKey is XYIUUHDAEPJOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F2O/c1-3-4-5-6-7-8-9(10,11)12-2/h3-8H2,1-2H3.
What are the key properties of 1,1-difluoro-1-methoxyoctane?
1,1-difluoro-1-methoxyoctane has a molecular weight of 180.24 g/mol, XLogP of 3.59, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-1-methoxyoctane is sourced from PubChem (CID 11332828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).