1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane

C6H2F12O — CID 19063502

IUPAC1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12O/c7-2(8,1-19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h1H2
InChIKeyXXMZNVIKQNBICY-UHFFFAOYSA-N
MW318.06 g/mol
LogP3.99
Rot. Bonds4

About 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane

1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane (PubChem CID 19063502) has the molecular formula C6H2F12O and a molecular weight of 318.06 g/mol. Its IUPAC name is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane
PubChem CID19063502
Molecular FormulaC6H2F12O
Molecular Weight318.06 g/mol
Exact Mass317.99
IUPAC Name1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane
SMILESFC(F)(F)OCC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6H2F12O/c7-2(8,1-19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h1H2
InChIKeyXXMZNVIKQNBICY-UHFFFAOYSA-N
XLogP3.99
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.06
LogP ≤ 53.99
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 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane?
The IUPAC name of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane (CID 19063502) is 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane is FC(F)(F)OCC(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-nonafluoro-5-(trifluoromethoxy)pentane?
The InChIKey is XXMZNVIKQNBICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F12O/c7-2(8,1-19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h1H2.
What are the key properties of 1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane?
1,1,1,2,2,3,3,4,4-nonafluoro-5-(trifluoromethoxy)pentane has a molecular weight of 318.06 g/mol, XLogP of 3.99, 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-nonafluoro-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 19063502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).