8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane

C17H34F2O — CID 118527073

IUPAC8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane
SMILESCCOCC(CC)(CC)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C17H34F2O/c1-7-16(8-2,14-20-9-3)12-10-11-13-17(18,19)15(4,5)6/h7-14H2,1-6H3
InChIKeyYWDZVRGCLFXPFF-UHFFFAOYSA-N
MW292.45 g/mol
LogP6.07
Rot. Bonds10

About 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane

8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane (PubChem CID 118527073) has the molecular formula C17H34F2O and a molecular weight of 292.45 g/mol. Its IUPAC name is 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane.

Molecular Properties

Compound Name8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane
PubChem CID118527073
Molecular FormulaC17H34F2O
Molecular Weight292.45 g/mol
Exact Mass292.26
IUPAC Name8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane
SMILESCCOCC(CC)(CC)CCCCC(F)(F)C(C)(C)C
InChIInChI=1S/C17H34F2O/c1-7-16(8-2,14-20-9-3)12-10-11-13-17(18,19)15(4,5)6/h7-14H2,1-6H3
InChIKeyYWDZVRGCLFXPFF-UHFFFAOYSA-N
XLogP6.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500292.45
LogP ≤ 56.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane 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

8-ethyl-3,3-difluoro-2,2-dimethyl-8-(propan-2-yloxymethyl)decane
CID 58275576
6,6-bis(ethoxymethyl)undecane
CID 89106537
ethane;1-ethoxy-2,2-bis(methoxymethyl)butane;vanadium
CID 144965251
4,4-bis(ethoxymethyl)heptane;5,5-bis(ethoxymethyl)nonane
CID 159037908
1-bromo-2-(bromomethyl)-2-(ethoxymethyl)butane
CID 103985337
1-ethoxy-3-ethyl-3-[(2-methylpropan-2-yl)oxymethyl]pentane
CID 89254988
4,4-bis(ethoxymethyl)-2-methylhexane
CID 89107052
2-(ethoxymethyl)-2-ethylpropane-1,3-diol;2-(ethoxymethyl)-2-methylpropane-1,3-diol;methane
CID 160847365
3-ethoxy-1,1,1,2-tetrafluoro-2-methoxypropane
CID 58859573
3-[[2-[[2-(2,2-diethylbutoxymethyl)-2-ethylbutoxy]methyl]-2-ethylbutoxy]methyl]-3-ethylpentane
CID 129159634
azane;1-ethoxy-2,2-dimethyldecane
CID 175176661
1,3-diethoxy-2,2-bis(ethoxymethyl)propane;tetrakis(N,N-dimethylmethanamine);tetrahydroiodide
CID 173321778

Frequently Asked Questions

What is the IUPAC name of 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane?
The IUPAC name of 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane (CID 118527073) is 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane.
What is the SMILES notation for 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane?
The canonical SMILES for 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane is CCOCC(CC)(CC)CCCCC(F)(F)C(C)(C)C.
What is the InChIKey of 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane?
The InChIKey is YWDZVRGCLFXPFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H34F2O/c1-7-16(8-2,14-20-9-3)12-10-11-13-17(18,19)15(4,5)6/h7-14H2,1-6H3.
What are the key properties of 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane?
8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane has a molecular weight of 292.45 g/mol, XLogP of 6.07, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(ethoxymethyl)-8-ethyl-3,3-difluoro-2,2-dimethyldecane is sourced from PubChem (CID 118527073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).