N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide

C13H20F3NO — CID 78865893

IUPACN-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C13H20F3NO/c1-2-3-8-17(10-13(14,15)16)12(18)9-11-6-4-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyDLITZNTZLDVPDP-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.53
Rot. Bonds6

About N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide

N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 78865893) has the molecular formula C13H20F3NO and a molecular weight of 263.30 g/mol. Its IUPAC name is N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID78865893
Molecular FormulaC13H20F3NO
Molecular Weight263.30 g/mol
Exact Mass263.15
IUPAC NameN-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide
SMILESCCCCN(CC(F)(F)F)C(=O)CC1C=CCC1
InChIInChI=1S/C13H20F3NO/c1-2-3-8-17(10-13(14,15)16)12(18)9-11-6-4-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3
InChIKeyDLITZNTZLDVPDP-UHFFFAOYSA-N
XLogP3.53
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide (CID 78865893) is N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide is CCCCN(CC(F)(F)F)C(=O)CC1C=CCC1.
What is the InChIKey of N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is DLITZNTZLDVPDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO/c1-2-3-8-17(10-13(14,15)16)12(18)9-11-6-4-5-7-11/h4,6,11H,2-3,5,7-10H2,1H3.
What are the key properties of N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide?
N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 263.30 g/mol, XLogP of 3.53, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-cyclopent-2-en-1-yl-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 78865893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).