N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide

C11H17ClF3NO2 — CID 103212652

IUPACN-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCCCCC1Cl
InChIInChI=1S/C11H17ClF3NO2/c12-8-4-2-1-3-5-9(8)16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyTZXDJCFKHKWJCG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.62
Rot. Bonds4

About N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212652) has the molecular formula C11H17ClF3NO2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212652
Molecular FormulaC11H17ClF3NO2
Molecular Weight287.71 g/mol
Exact Mass287.09
IUPAC NameN-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NC1CCCCCC1Cl
InChIInChI=1S/C11H17ClF3NO2/c12-8-4-2-1-3-5-9(8)16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyTZXDJCFKHKWJCG-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.62
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-[(1R,2R)-2-hydroxycyclohexyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 104927390
N-[2-(aminomethyl)cyclopentyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103807208
3-chloro-N-[(2S)-2-chlorocyclohexyl]propanamide
CID 18526970
N-(2-chlorocyclopentyl)-3-cyclopentylpropanamide
CID 106444163
3-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]cyclohexane-1-carboxylic acid
CID 103932793
N-(2-chlorocyclohexyl)-2,2,3,3-tetrafluoropropanamide
CID 106441937
N-[[2-(aminomethyl)cyclohexyl]methyl]-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212934
N-[(2R)-2-chlorocyclohexyl]acetamide
CID 18526491
N-(2-chlorocyclohexyl)-3,5,5-trimethylhexanamide
CID 114189113
N-[(1R,2R)-2-aminocyclohexyl]-3,3,3-trifluoropropanamide
CID 93451955
2-methoxy-N-[2-[(2-methoxyacetyl)amino]cyclohexyl]acetamide
CID 54302346
1-(4-cyclohexylphenyl)-2-(2,2,2-trifluoroethoxy)ethanone
CID 103206467

Frequently Asked Questions

What is the IUPAC name of N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212652) is N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NC1CCCCCC1Cl.
What is the InChIKey of N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is TZXDJCFKHKWJCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO2/c12-8-4-2-1-3-5-9(8)16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17).
What are the key properties of N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 287.71 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorocycloheptyl)-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).