N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C10H15ClF3NO2 — CID 106126654

IUPACN-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO2/c11-8-2-1-7(3-8)4-15-9(16)5-17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHCHOPCRZWLEICU-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.09
Rot. Bonds5

About N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106126654) has the molecular formula C10H15ClF3NO2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106126654
Molecular FormulaC10H15ClF3NO2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC NameN-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCC(Cl)C1
InChIInChI=1S/C10H15ClF3NO2/c11-8-2-1-7(3-8)4-15-9(16)5-17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16)
InChIKeyHCHOPCRZWLEICU-UHFFFAOYSA-N
XLogP2.09
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 ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
N-[1-(chloromethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212371
N-[(2-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212396
N-(2-chloro-2-cyclopropylethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212420
N-(4-chloro-2-methylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212433
N-(4-chloro-2-ethylbutyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212436
N-[[2-(chloromethyl)cyclopentyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212439
N-[[2-(chloromethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212441
N-[[1-(chloromethyl)cyclopentyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212582
N-[2-(2-chloroethyl)pentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106117768
N-(4-chloropentyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106129563
N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 106131991

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 106126654) is N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1CCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is HCHOPCRZWLEICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO2/c11-8-2-1-7(3-8)4-15-9(16)5-17-6-10(12,13)14/h7-8H,1-6H2,(H,15,16).
What are the key properties of N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 273.68 g/mol, XLogP of 2.09, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106126654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).