2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide

C10H12F9N3O — CID 4225683

IUPAC2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide
SMILESCN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F9N3O/c1-21-2-4-22(5-3-21)20-6(23)7(11,12)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3,(H,20,23)
InChIKeyLTNGOSNEKPJJBY-UHFFFAOYSA-N
MW361.21 g/mol
LogP1.73
Rot. Bonds4

About 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide

2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide (PubChem CID 4225683) has the molecular formula C10H12F9N3O and a molecular weight of 361.21 g/mol. Its IUPAC name is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide.

Molecular Properties

Compound Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide
PubChem CID4225683
Molecular FormulaC10H12F9N3O
Molecular Weight361.21 g/mol
Exact Mass361.08
IUPAC Name2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide
SMILESCN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1
InChIInChI=1S/C10H12F9N3O/c1-21-2-4-22(5-3-21)20-6(23)7(11,12)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3,(H,20,23)
InChIKeyLTNGOSNEKPJJBY-UHFFFAOYSA-N
XLogP1.73
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide?
The IUPAC name of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide (CID 4225683) is 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide.
What is the SMILES notation for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide?
The canonical SMILES for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide is CN1CCN(NC(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)CC1.
What is the InChIKey of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide?
The InChIKey is LTNGOSNEKPJJBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F9N3O/c1-21-2-4-22(5-3-21)20-6(23)7(11,12)8(13,14)9(15,16)10(17,18)19/h2-5H2,1H3,(H,20,23).
What are the key properties of 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide?
2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide has a molecular weight of 361.21 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,4,4,5,5,5-nonafluoro-N-(4-methylpiperazin-1-yl)pentanamide is sourced from PubChem (CID 4225683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).