2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide

C6HF12NO — CID 154344840

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide
SMILESO=C(NC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12NO/c7-2(8,1(20)19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h(H,19,20)
InChIKeyFOEXTUWSGCTJIG-UHFFFAOYSA-N
MW331.06 g/mol
LogP3.09
Rot. Bonds3

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide (PubChem CID 154344840) has the molecular formula C6HF12NO and a molecular weight of 331.06 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide
PubChem CID154344840
Molecular FormulaC6HF12NO
Molecular Weight331.06 g/mol
Exact Mass330.99
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide
SMILESO=C(NC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C6HF12NO/c7-2(8,1(20)19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h(H,19,20)
InChIKeyFOEXTUWSGCTJIG-UHFFFAOYSA-N
XLogP3.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.06
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide (CID 154344840) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide is O=C(NC(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide?
The InChIKey is FOEXTUWSGCTJIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6HF12NO/c7-2(8,1(20)19-6(16,17)18)3(9,10)4(11,12)5(13,14)15/h(H,19,20).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide has a molecular weight of 331.06 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(trifluoromethyl)pentanamide is sourced from PubChem (CID 154344840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).