N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide

C10H13ClF3NO2 — CID 104701447

IUPACN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H13ClF3NO2/c11-6-7(16)5-9(3-1-2-4-9)15-8(17)10(12,13)14/h1-6H2,(H,15,17)
InChIKeyHPNCOFSPTFKOSD-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.18
Rot. Bonds4

About N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide

N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide (PubChem CID 104701447) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide
PubChem CID104701447
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC NameN-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)(F)F)CCCC1
InChIInChI=1S/C10H13ClF3NO2/c11-6-7(16)5-9(3-1-2-4-9)15-8(17)10(12,13)14/h1-6H2,(H,15,17)
InChIKeyHPNCOFSPTFKOSD-UHFFFAOYSA-N
XLogP2.18
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide (CID 104701447) is N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide is O=C(CCl)CC1(NC(=O)C(F)(F)F)CCCC1.
What is the InChIKey of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide?
The InChIKey is HPNCOFSPTFKOSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO2/c11-6-7(16)5-9(3-1-2-4-9)15-8(17)10(12,13)14/h1-6H2,(H,15,17).
What are the key properties of N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide?
N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide has a molecular weight of 271.67 g/mol, XLogP of 2.18, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chloro-2-oxopropyl)cyclopentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104701447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).