1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane

C6H6F8O — CID 118566750

IUPAC1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane
SMILESCOC(F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H6F8O/c1-3(7,8)4(9,10)5(11,15-2)6(12,13)14/h1-2H3
InChIKeyJGHSCPCXDKDFCT-UHFFFAOYSA-N
MW246.10 g/mol
LogP3.15
Rot. Bonds3

About 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane

1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane (PubChem CID 118566750) has the molecular formula C6H6F8O and a molecular weight of 246.10 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane
PubChem CID118566750
Molecular FormulaC6H6F8O
Molecular Weight246.10 g/mol
Exact Mass246.03
IUPAC Name1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane
SMILESCOC(F)(C(F)(F)F)C(F)(F)C(C)(F)F
InChIInChI=1S/C6H6F8O/c1-3(7,8)4(9,10)5(11,15-2)6(12,13)14/h1-2H3
InChIKeyJGHSCPCXDKDFCT-UHFFFAOYSA-N
XLogP3.15
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,1,2,3,3,3-Hexafluoropropyl methyl ether
CID 2778364
Methyl 2H,2H-perfluorobutyl ether
CID 17914188
1,1,2,2,3,3-Hexafluoro-1-methoxypropane
CID 22178541
Methyl 3H-perfluoroisopropyl ether
CID 13332851
1,1,1,2-Tetrafluoro-2-(trifluoromethoxy)butane
CID 71358567
Methyl 1,1,2,3,3,3-pentafluoropropyl ether
CID 89951034
1,1,1,2,2,3,3,4-Octafluoro-4-methoxybutane
CID 14272782
1,1,2,2,3,3,4-Heptafluoro-4-methoxybutane
CID 14272784
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-methoxypentane
CID 18335956
1,1,1,2,3,3-Hexafluoro-4-methoxybutane
CID 93885
1,1,3,3,3-Pentafluoropropyl methyl ether
CID 2782397
1,1,2,2,3,4-Hexafluoro-3-methoxycyclobutane
CID 13332853

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane (CID 118566750) is 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane is COC(F)(C(F)(F)F)C(F)(F)C(C)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane?
The InChIKey is JGHSCPCXDKDFCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F8O/c1-3(7,8)4(9,10)5(11,15-2)6(12,13)14/h1-2H3.
What are the key properties of 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane?
1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane has a molecular weight of 246.10 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4-octafluoro-2-methoxypentane is sourced from PubChem (CID 118566750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).