5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane

C6H3F11O — CID 22436579

IUPAC5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESFC(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(8)18-1-3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKeyMWYPGZOEGJJCBI-UHFFFAOYSA-N
MW300.07 g/mol
LogP3.69
Rot. Bonds5

About 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane

5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane (PubChem CID 22436579) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane.

Molecular Properties

Compound Name5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
PubChem CID22436579
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane
SMILESFC(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-2(8)18-1-3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2
InChIKeyMWYPGZOEGJJCBI-UHFFFAOYSA-N
XLogP3.69
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
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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Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The IUPAC name of 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane (CID 22436579) is 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane.
What is the SMILES notation for 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The canonical SMILES for 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane is FC(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
The InChIKey is MWYPGZOEGJJCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H3F11O/c7-2(8)18-1-3(9,10)4(11,12)5(13,14)6(15,16)17/h2H,1H2.
What are the key properties of 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane?
5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane has a molecular weight of 300.07 g/mol, XLogP of 3.69, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethoxy)-1,1,1,2,2,3,3,4,4-nonafluoropentane is sourced from PubChem (CID 22436579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).