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

C10H17F3N2O2 — CID 106121466

IUPACN-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1CCC(CNC(=O)COCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-17-5-9(16)15-4-7-1-2-8(14)3-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyXVTLMOGRSSYLNJ-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.81
Rot. Bonds5

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

N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106121466) has the molecular formula C10H17F3N2O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106121466
Molecular FormulaC10H17F3N2O2
Molecular Weight254.25 g/mol
Exact Mass254.12
IUPAC NameN-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESNC1CCC(CNC(=O)COCC(F)(F)F)C1
InChIInChI=1S/C10H17F3N2O2/c11-10(12,13)6-17-5-9(16)15-4-7-1-2-8(14)3-7/h7-8H,1-6,14H2,(H,15,16)
InChIKeyXVTLMOGRSSYLNJ-UHFFFAOYSA-N
XLogP0.81
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-[2-(cyclopentylmethylamino)ethoxy]ethoxy]ethyl]-2,2,2-trifluoroacetamide
CID 57583789
N-(4-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823361
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823382
N-(2-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823425
N-(3-methylcyclohexyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 45823583
N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 45887868
N-cyclopentyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 45893157
2-propoxy-N-[3-(trifluoromethyl)cyclohexyl]acetamide
CID 48674624
2-Methoxy-N-(3-(trifluoromethyl)cyclohexyl)acetamide
CID 51076211
(2S)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943829
(2R)-N-(cyclopentylmethyl)-2-(2,2,2-trifluoroethoxy)propanamide
CID 51943830
2-methoxy-N-[2-(trifluoromethyl)cyclohexyl]acetamide
CID 60724344

Frequently Asked Questions

What is the IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 106121466) is N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is NC1CCC(CNC(=O)COCC(F)(F)F)C1.
What is the InChIKey of N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is XVTLMOGRSSYLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3N2O2/c11-10(12,13)6-17-5-9(16)15-4-7-1-2-8(14)3-7/h7-8H,1-6,14H2,(H,15,16).
What are the key properties of N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 254.25 g/mol, XLogP of 0.81, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-aminocyclopentyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106121466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).