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

C9H11ClF3NO2 — CID 104701620

IUPACN-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C9H11ClF3NO2/c10-5-6(15)4-8(2-1-3-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16)
InChIKeyMOWGZDHDTOFYEN-UHFFFAOYSA-N
MW257.64 g/mol
LogP1.79
Rot. Bonds4

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

N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide (PubChem CID 104701620) has the molecular formula C9H11ClF3NO2 and a molecular weight of 257.64 g/mol. Its IUPAC name is N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide
PubChem CID104701620
Molecular FormulaC9H11ClF3NO2
Molecular Weight257.64 g/mol
Exact Mass257.04
IUPAC NameN-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide
SMILESO=C(CCl)CC1(NC(=O)C(F)(F)F)CCC1
InChIInChI=1S/C9H11ClF3NO2/c10-5-6(15)4-8(2-1-3-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16)
InChIKeyMOWGZDHDTOFYEN-UHFFFAOYSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.64
LogP ≤ 51.79
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)cyclobutyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide (CID 104701620) is N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide is O=C(CCl)CC1(NC(=O)C(F)(F)F)CCC1.
What is the InChIKey of N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide?
The InChIKey is MOWGZDHDTOFYEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3NO2/c10-5-6(15)4-8(2-1-3-8)14-7(16)9(11,12)13/h1-5H2,(H,14,16).
What are the key properties of N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide?
N-[1-(3-chloro-2-oxopropyl)cyclobutyl]-2,2,2-trifluoroacetamide has a molecular weight of 257.64 g/mol, XLogP of 1.79, 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)cyclobutyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104701620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).