2,2-difluoro-7-methyl-1-propan-2-yloxyoctane

C12H24F2O — CID 58275597

IUPAC2,2-difluoro-7-methyl-1-propan-2-yloxyoctane
SMILESCC(C)CCCCC(F)(F)COC(C)C
InChIInChI=1S/C12H24F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyWWOBAHDEVKJQPR-UHFFFAOYSA-N
MW222.32 g/mol
LogP4.26
Rot. Bonds8

About 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane

2,2-difluoro-7-methyl-1-propan-2-yloxyoctane (PubChem CID 58275597) has the molecular formula C12H24F2O and a molecular weight of 222.32 g/mol. Its IUPAC name is 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane.

Molecular Properties

Compound Name2,2-difluoro-7-methyl-1-propan-2-yloxyoctane
PubChem CID58275597
Molecular FormulaC12H24F2O
Molecular Weight222.32 g/mol
Exact Mass222.18
IUPAC Name2,2-difluoro-7-methyl-1-propan-2-yloxyoctane
SMILESCC(C)CCCCC(F)(F)COC(C)C
InChIInChI=1S/C12H24F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h10-11H,5-9H2,1-4H3
InChIKeyWWOBAHDEVKJQPR-UHFFFAOYSA-N
XLogP4.26
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.32
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Perfluorohexylethyl dimethylbutyl ether
CID 10874009
(2R,6S)-4-fluoro-2,6-di(propan-2-yl)oxane
CID 14492060
1-[Chloro(difluoro)methoxy]-3,7-dimethyloctane
CID 101034477
Difluorothromboxane
CID 129674200
1-(4-Methylpentan-2-yloxy)octane
CID 19370012
(6S)-2,6-dimethyl-6-(2,2,2-trifluoroethoxy)octane
CID 10752552
(3R)-3-ethoxy-2-methylnonane
CID 3086091
(3R)-3-ethoxy-2-methyldodecane
CID 3086092
2-(2,2,2-Trifluoroethoxy)octane
CID 12643285
3,3-Difluoro-2-methyldecan-4-ol
CID 15783633
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-7-(2-methylpentan-2-yloxy)octane
CID 18377165
(2R)-1,1,1-trifluoro-7-methyloctan-2-ol
CID 18396357

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane?
The IUPAC name of 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane (CID 58275597) is 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane.
What is the SMILES notation for 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane?
The canonical SMILES for 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane is CC(C)CCCCC(F)(F)COC(C)C.
What is the InChIKey of 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane?
The InChIKey is WWOBAHDEVKJQPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24F2O/c1-10(2)7-5-6-8-12(13,14)9-15-11(3)4/h10-11H,5-9H2,1-4H3.
What are the key properties of 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane?
2,2-difluoro-7-methyl-1-propan-2-yloxyoctane has a molecular weight of 222.32 g/mol, XLogP of 4.26, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-7-methyl-1-propan-2-yloxyoctane is sourced from PubChem (CID 58275597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).