N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide

C10H13ClF3NO2 — CID 104701916

IUPACN-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide
SMILESCC1(C(=O)CCl)CCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C10H13ClF3NO2/c1-9(7(16)5-11)4-2-3-6(9)15-8(17)10(12,13)14/h6H,2-5H2,1H3,(H,15,17)
InChIKeyGDYWOVKOGWDTJN-UHFFFAOYSA-N
MW271.67 g/mol
LogP2.03
Rot. Bonds3

About N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide

N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide (PubChem CID 104701916) has the molecular formula C10H13ClF3NO2 and a molecular weight of 271.67 g/mol. Its IUPAC name is N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide
PubChem CID104701916
Molecular FormulaC10H13ClF3NO2
Molecular Weight271.67 g/mol
Exact Mass271.06
IUPAC NameN-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide
SMILESCC1(C(=O)CCl)CCCC1NC(=O)C(F)(F)F
InChIInChI=1S/C10H13ClF3NO2/c1-9(7(16)5-11)4-2-3-6(9)15-8(17)10(12,13)14/h6H,2-5H2,1H3,(H,15,17)
InChIKeyGDYWOVKOGWDTJN-UHFFFAOYSA-N
XLogP2.03
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.67
LogP ≤ 52.03
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

methyl N-[2-(2-bromoacetyl)-2-methylcyclopentyl]carbamate
CID 104701922
N-[1-(2-chloroacetyl)-4-methylcyclohexyl]-2,2,2-trifluoroacetamide
CID 104701059
3-chloro-N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79871536
N-[[1-(2-chloroacetyl)-4-methylcyclohexyl]methyl]-2,2,2-trifluoroacetamide
CID 104701808
2-chloro-N-(2,2-dimethylcyclopentyl)acetamide
CID 79872044
N-[1-(2-chloroacetyl)cyclopentyl]-2,2,2-trifluoroacetamide
CID 104701012
2-(4,4-dimethylpentanoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 114212381
2,2-difluoro-2-(1-hydroxycyclobutyl)-N-[2-(hydroxymethyl)-2-methylcyclopentyl]acetamide
CID 75436732
N-(2,2-dimethylcyclopentyl)-2,2-dimethylpropanamide
CID 79872163
2-[(2-amino-2-methylpropanoyl)amino]-1-methylcyclohexane-1-carboxylic acid
CID 83213858
2-(carbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762898
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide (CID 104701916) is N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide is CC1(C(=O)CCl)CCCC1NC(=O)C(F)(F)F.
What is the InChIKey of N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide?
The InChIKey is GDYWOVKOGWDTJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3NO2/c1-9(7(16)5-11)4-2-3-6(9)15-8(17)10(12,13)14/h6H,2-5H2,1H3,(H,15,17).
What are the key properties of N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide?
N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide has a molecular weight of 271.67 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chloroacetyl)-2-methylcyclopentyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 104701916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).