2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

C9H15F3N2O2 — CID 63826371

IUPAC2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CNC1CC1)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-13-8(15)5-14-7-1-2-7/h7,14H,1-6H2,(H,13,15)
InChIKeyBJODNMFZTIHXRM-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.43
Rot. Bonds7

About 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide

2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (PubChem CID 63826371) has the molecular formula C9H15F3N2O2 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
PubChem CID63826371
Molecular FormulaC9H15F3N2O2
Molecular Weight240.22 g/mol
Exact Mass240.11
IUPAC Name2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
SMILESO=C(CNC1CC1)NCCOCC(F)(F)F
InChIInChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-13-8(15)5-14-7-1-2-7/h7,14H,1-6H2,(H,13,15)
InChIKeyBJODNMFZTIHXRM-UHFFFAOYSA-N
XLogP0.43
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(2-methoxyethylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79281292
2-[4-(aminomethyl)cyclohexyl]-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 63834528
3-amino-N-[2-(2,2,2-trifluoroethoxy)ethyl]propanamide
CID 63828602
2-(cyclopropylamino)-N-[3-(cyclopropylmethoxy)propyl]acetamide
CID 60712208
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide
CID 79615251
N-[4-(ethylamino)cyclohexyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 103206325
N-(3-butoxypropyl)-2-(cyclopentylamino)acetamide
CID 113219331
N-(2-methoxyethyl)-2-[(4-propan-2-ylcyclohexyl)amino]acetamide
CID 113242883
N-[2-(2,2,2-trifluoroethoxy)ethyl]piperidine-4-carboxamide
CID 63826716
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoylamino]acetic acid
CID 61492672
2-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 103978794
cis-(1S,3R)-3-[2-(2,2,2-trifluoroethoxy)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092359

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The IUPAC name of 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide (CID 63826371) is 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide.
What is the SMILES notation for 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The canonical SMILES for 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is O=C(CNC1CC1)NCCOCC(F)(F)F.
What is the InChIKey of 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
The InChIKey is BJODNMFZTIHXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3N2O2/c10-9(11,12)6-16-4-3-13-8(15)5-14-7-1-2-7/h7,14H,1-6H2,(H,13,15).
What are the key properties of 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide?
2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide has a molecular weight of 240.22 g/mol, XLogP of 0.43, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylamino)-N-[2-(2,2,2-trifluoroethoxy)ethyl]acetamide is sourced from PubChem (CID 63826371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).