1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane

C6H3F11O — CID 23432497

IUPAC1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-18-6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h1H3
InChIKeyFBPBXYQMWDFSOE-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.69
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane

1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane (PubChem CID 23432497) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane
PubChem CID23432497
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane
SMILESCOC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c1-18-6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h1H3
InChIKeyFBPBXYQMWDFSOE-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.69
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

Methyl perfluorobutyl ether
CID 164514
5-(Difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
CID 22436579
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-6-methoxyhexane
CID 22715439
Methyl perfluoroisohexyl ether
CID 87409595
1,1,2,2,3,3,4,4,5,5-Decafluoro-1-methoxypentane
CID 18335956
HFE-578pc3f
CID 14533039
1,1,1,2,3,3,4,4-Octafluoro-5-methoxypentane
CID 19063462
1,1,2,3,3,4,4-Heptafluoro-5-methoxypentane
CID 19063463
Methyl 1H,1H-nonafluoropentyl ether
CID 19063487
1,1,1,2,3,3,4,4-Octafluoro-5-(trifluoromethoxy)pentane
CID 19063496
1,1,1,2,2,3,3,4,4-Nonafluoro-5-(trifluoromethoxy)pentane
CID 19063502
1-(1,1-Difluoroethoxy)-1,1,2,2,3,3,4,4,5,5,5-undecafluoropentane
CID 22002811

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane (CID 23432497) is 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane is COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane?
The InChIKey is FBPBXYQMWDFSOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c1-18-6(16,17)4(11,12)2(7,8)3(9,10)5(13,14)15/h1H3.
What are the key properties of 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane?
1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane has a molecular weight of 300.07 g/mol, XLogP of 3.69, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,3,3,4,4,5,5-undecafluoro-5-methoxypentane is sourced from PubChem (CID 23432497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).