2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide

C14H23F3N2O — CID 115519660

IUPAC2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-3-7-13(11-18,8-4-2)12(20)19-10-6-5-9-14(15,16)17/h3-10H2,1-2H3,(H,19,20)
InChIKeyBHHZMMIZUGIZCP-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.95
Rot. Bonds9

About 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide

2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide (PubChem CID 115519660) has the molecular formula C14H23F3N2O and a molecular weight of 292.34 g/mol. Its IUPAC name is 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide.

Molecular Properties

Compound Name2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide
PubChem CID115519660
Molecular FormulaC14H23F3N2O
Molecular Weight292.34 g/mol
Exact Mass292.18
IUPAC Name2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide
SMILESCCCC(C#N)(CCC)C(=O)NCCCCC(F)(F)F
InChIInChI=1S/C14H23F3N2O/c1-3-7-13(11-18,8-4-2)12(20)19-10-6-5-9-14(15,16)17/h3-10H2,1-2H3,(H,19,20)
InChIKeyBHHZMMIZUGIZCP-UHFFFAOYSA-N
XLogP3.95
TPSA52.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide?
The IUPAC name of 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide (CID 115519660) is 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide.
What is the SMILES notation for 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide?
The canonical SMILES for 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide is CCCC(C#N)(CCC)C(=O)NCCCCC(F)(F)F.
What is the InChIKey of 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide?
The InChIKey is BHHZMMIZUGIZCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23F3N2O/c1-3-7-13(11-18,8-4-2)12(20)19-10-6-5-9-14(15,16)17/h3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide?
2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide has a molecular weight of 292.34 g/mol, XLogP of 3.95, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-2-propyl-N-(5,5,5-trifluoropentyl)pentanamide is sourced from PubChem (CID 115519660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).