N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H15ClF3NO2 — CID 103212371

IUPACN-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CCl)CCCC1
InChIInChI=1S/C10H15ClF3NO2/c11-6-9(3-1-2-4-9)15-8(16)5-17-7-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyYMLUZFPBQRMRIR-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.23
Rot. Bonds5

About N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212371) has the molecular formula C10H15ClF3NO2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212371
Molecular FormulaC10H15ClF3NO2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC NameN-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1(CCl)CCCC1
InChIInChI=1S/C10H15ClF3NO2/c11-6-9(3-1-2-4-9)15-8(16)5-17-7-10(12,13)14/h1-7H2,(H,15,16)
InChIKeyYMLUZFPBQRMRIR-UHFFFAOYSA-N
XLogP2.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.23
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-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212371) is N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1(CCl)CCCC1.
What is the InChIKey of N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is YMLUZFPBQRMRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO2/c11-6-9(3-1-2-4-9)15-8(16)5-17-7-10(12,13)14/h1-7H2,(H,15,16).
What are the key properties of N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 273.68 g/mol, XLogP of 2.23, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).