1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane

C12H18F8O2 — CID 20781750

IUPAC1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
SMILESCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C12H18F8O2/c1-8(5-13)4-10(12(18,19)20,22-7-21-3)11(16,17)6-9(2,14)15/h8H,4-7H2,1-3H3
InChIKeyKGVIETWNFAWTSC-UHFFFAOYSA-N
MW346.26 g/mol
LogP4.58
Rot. Bonds9

About 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane

1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane (PubChem CID 20781750) has the molecular formula C12H18F8O2 and a molecular weight of 346.26 g/mol. Its IUPAC name is 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane.

Molecular Properties

Compound Name1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
PubChem CID20781750
Molecular FormulaC12H18F8O2
Molecular Weight346.26 g/mol
Exact Mass346.12
IUPAC Name1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane
SMILESCOCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F
InChIInChI=1S/C12H18F8O2/c1-8(5-13)4-10(12(18,19)20,22-7-21-3)11(16,17)6-9(2,14)15/h8H,4-7H2,1-3H3
InChIKeyKGVIETWNFAWTSC-UHFFFAOYSA-N
XLogP4.58
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.26
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane 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

2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2,2,4,4,7-Pentafluoro-5-(methoxymethoxy)-5-(trifluoromethyl)nonane
CID 20764965
3-(1,1-Difluoroethyl)-2,2,4-trifluoro-1-(methoxymethoxy)-5-methyl-1-(trifluoromethyl)cyclohexane
CID 20770040
3-(1,1-Difluoroethyl)-4-ethyl-2,2,4-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 20770041
4-(Ethoxymethoxy)-1,5,5,7,7-pentafluoro-2-methyl-4-(trifluoromethyl)octane
CID 20781756
1-(1,1-Difluoroethyl)-1,2,2-trifluoro-3-(methoxymethoxy)-5-methyl-3-(trifluoromethyl)cyclohexane
CID 23597948
3-(1,1-Difluoroethyl)-4-ethyl-2,2,3-trifluoro-1-(methoxymethoxy)-1-(trifluoromethyl)cyclopentane
CID 23597952
4,6-Bis(ethoxymethoxy)-5,5-difluoro-3,7-dimethyl-4,6-bis(trifluoromethyl)nonane
CID 57603588
3-Ethyl-1,2,2-trifluoro-1-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723670
1-Ethyl-3-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclopentane
CID 57723671
1-(1,1-Difluoroethyl)-1-fluoro-3-methyl-5-[3,3,3-trifluoro-2-(methoxymethoxy)-2-(trifluoromethyl)propyl]cyclohexane
CID 57723676
1,1,1-Trifluoro-4-methyl-2-[(2-methylpropan-2-yl)oxymethoxy]-2-(trifluoromethyl)hexane
CID 58205898

Frequently Asked Questions

What is the IUPAC name of 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane?
The IUPAC name of 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane (CID 20781750) is 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane.
What is the SMILES notation for 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane?
The canonical SMILES for 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane is COCOC(CC(C)CF)(C(F)(F)F)C(F)(F)CC(C)(F)F.
What is the InChIKey of 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane?
The InChIKey is KGVIETWNFAWTSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F8O2/c1-8(5-13)4-10(12(18,19)20,22-7-21-3)11(16,17)6-9(2,14)15/h8H,4-7H2,1-3H3.
What are the key properties of 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane?
1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane has a molecular weight of 346.26 g/mol, XLogP of 4.58, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5,5,7,7-pentafluoro-4-(methoxymethoxy)-2-methyl-4-(trifluoromethyl)octane is sourced from PubChem (CID 20781750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).