1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane

C9H11F9O3 — CID 20520084

IUPAC1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane
SMILESCOC(F)C(C(F)(F)F)C(F)(OC)C(F)(OC)C(F)(F)F
InChIInChI=1S/C9H11F9O3/c1-19-5(10)4(7(12,13)14)6(11,20-2)8(15,21-3)9(16,17)18/h4-5H,1-3H3
InChIKeyNKPRHDZQXFCGEZ-UHFFFAOYSA-N
MW338.17 g/mol
LogP3.29
Rot. Bonds6

About 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane

1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane (PubChem CID 20520084) has the molecular formula C9H11F9O3 and a molecular weight of 338.17 g/mol. Its IUPAC name is 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane.

Molecular Properties

Compound Name1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane
PubChem CID20520084
Molecular FormulaC9H11F9O3
Molecular Weight338.17 g/mol
Exact Mass338.06
IUPAC Name1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane
SMILESCOC(F)C(C(F)(F)F)C(F)(OC)C(F)(OC)C(F)(F)F
InChIInChI=1S/C9H11F9O3/c1-19-5(10)4(7(12,13)14)6(11,20-2)8(15,21-3)9(16,17)18/h4-5H,1-3H3
InChIKeyNKPRHDZQXFCGEZ-UHFFFAOYSA-N
XLogP3.29
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.17
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane 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

1,3-Diethoxy-1,1,2,3,4,4,5,5,5-nonafluoro-2-methylpentane
CID 19761929
1,1,1,2,2,3,4,5,5-Nonafluoro-3,5-dimethoxy-4-methylpentane
CID 19761955
5,5,7-Trifluoro-7-(1-fluoroethyl)-6-(fluoromethyl)-2,3-dimethyl-1,4-dioxepane
CID 20189170

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane?
The IUPAC name of 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane (CID 20520084) is 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane.
What is the SMILES notation for 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane?
The canonical SMILES for 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane is COC(F)C(C(F)(F)F)C(F)(OC)C(F)(OC)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane?
The InChIKey is NKPRHDZQXFCGEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O3/c1-19-5(10)4(7(12,13)14)6(11,20-2)8(15,21-3)9(16,17)18/h4-5H,1-3H3.
What are the key properties of 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane?
1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane has a molecular weight of 338.17 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,5,5,5-octafluoro-4-[fluoro(methoxy)methyl]-2,3-dimethoxypentane is sourced from PubChem (CID 20520084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).