N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

C10H16F3NO2 — CID 51077296

IUPACN-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-5-9(15)14-8-3-1-2-4-8/h8H,1-7H2,(H,14,15)
InChIKeyCZJDDTFDHCHOEQ-UHFFFAOYSA-N
MW239.24 g/mol
LogP2.01
Rot. Bonds5

About N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide

N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (PubChem CID 51077296) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.

Molecular Properties

Compound NameN-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
PubChem CID51077296
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC NameN-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide
SMILESO=C(CCOCC(F)(F)F)NC1CCCC1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-5-9(15)14-8-3-1-2-4-8/h8H,1-7H2,(H,14,15)
InChIKeyCZJDDTFDHCHOEQ-UHFFFAOYSA-N
XLogP2.01
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 52.01
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 N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The IUPAC name of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide (CID 51077296) is N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide.
What is the SMILES notation for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The canonical SMILES for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is O=C(CCOCC(F)(F)F)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
The InChIKey is CZJDDTFDHCHOEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)7-16-6-5-9(15)14-8-3-1-2-4-8/h8H,1-7H2,(H,14,15).
What are the key properties of N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide?
N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide has a molecular weight of 239.24 g/mol, XLogP of 2.01, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-(2,2,2-trifluoroethoxy)propanamide is sourced from PubChem (CID 51077296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).