1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane

C7H8F8O2 — CID 91723921

IUPAC1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane
SMILESCOC(C(OC)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F8O2/c1-16-3(4(17-2)6(10,11)12)5(8,9)7(13,14)15/h3-4H,1-2H3
InChIKeyGJBVCHYTZWFTPX-UHFFFAOYSA-N
MW276.12 g/mol
LogP2.78
Rot. Bonds4

About 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane

1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane (PubChem CID 91723921) has the molecular formula C7H8F8O2 and a molecular weight of 276.12 g/mol. Its IUPAC name is 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane.

Molecular Properties

Compound Name1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane
PubChem CID91723921
Molecular FormulaC7H8F8O2
Molecular Weight276.12 g/mol
Exact Mass276.04
IUPAC Name1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane
SMILESCOC(C(OC)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H8F8O2/c1-16-3(4(17-2)6(10,11)12)5(8,9)7(13,14)15/h3-4H,1-2H3
InChIKeyGJBVCHYTZWFTPX-UHFFFAOYSA-N
XLogP2.78
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.12
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Fluoromethyl 2-methoxy-2,2-difluoro-1-(trifluoromethyl)ethyl ether
CID 124367
1,1,1-Trifluoro-2,3-dimethoxypropane
CID 153666622
1,2-Bis(1-methyl-2,2,3,4,4,4-hexafluorobutoxy)-3,3,4,5,5,5-hexafluoropentane
CID 15425011
1,1,1,4,4,4-Hexafluoro-2,3-dimethoxybutane
CID 91705047
(2R)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
CID 101255622
(2S)-1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-3-methoxypropane
CID 101255623
4-Ethoxy-1,1,1,2,3,3-hexafluoropentane
CID 13271509
1,1,1,3,3,3-Hexafluoro-2-(fluoromethoxy)propane;methoxymethane
CID 18430296
2-(2,2-Difluoropropoxy)-1,1,1,2-tetrafluoro-3-methoxypropane
CID 20614595
1,1,1-Trifluoro-2-[2-(1,1,1-trifluoropropan-2-yloxy)ethoxy]propane
CID 23524069
1,1,2,4,4-Pentafluoro-3-methoxypentane
CID 53648190
1,1,1,5,5-Pentafluoro-3-methoxypentane
CID 53671419

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane?
The IUPAC name of 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane (CID 91723921) is 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane.
What is the SMILES notation for 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane?
The canonical SMILES for 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane is COC(C(OC)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane?
The InChIKey is GJBVCHYTZWFTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F8O2/c1-16-3(4(17-2)6(10,11)12)5(8,9)7(13,14)15/h3-4H,1-2H3.
What are the key properties of 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane?
1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane has a molecular weight of 276.12 g/mol, XLogP of 2.78, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,5,5,5-octafluoro-3,4-dimethoxypentane is sourced from PubChem (CID 91723921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).