N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide

C6H11F3N2O — CID 43401592

IUPACN-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(12)11-3-2-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeySHOZHAZELWUNCV-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.27
Rot. Bonds4

About N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide

N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide (PubChem CID 43401592) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide.

Molecular Properties

Compound NameN-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
PubChem CID43401592
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC NameN-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide
SMILESCC(=O)NCCNCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c1-5(12)11-3-2-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12)
InChIKeySHOZHAZELWUNCV-UHFFFAOYSA-N
XLogP0.27
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2,2,2-trifluoroethyl)acetamide
CID 23168969
N-[2-(ethylamino)ethyl]acetamide;propane
CID 159314545
N-[2-[2-[2-[2-(ethylamino)ethylamino]ethylamino]ethylamino]ethyl]acetamide
CID 88534902
N-[2-(2,2,2-trifluoroethoxyamino)ethyl]acetamide
CID 107529803
N-[2-[(2-cyano-3,3,3-trifluoropropyl)amino]ethyl]acetamide
CID 103367047
N-[2-(2-methylprop-2-enylamino)ethyl]acetamide
CID 60691853
N-[2-(2,3,3-trimethylbutylamino)ethyl]acetamide
CID 107529863
N-(3-acetamidopropyl)acetamide
CID 5147555
N-[2-(methylamino)ethyl]acetamide;hydrochloride
CID 75480326
N-[4-(4-acetamidobutylamino)butyl]acetamide
CID 10332037
N-[2-(prop-1-en-2-ylamino)ethyl]acetamide
CID 21030566
N-[2-(2-ethylsulfonylethylamino)ethyl]acetamide
CID 43807754

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The IUPAC name of N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide (CID 43401592) is N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide.
What is the SMILES notation for N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The canonical SMILES for N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide is CC(=O)NCCNCC(F)(F)F.
What is the InChIKey of N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
The InChIKey is SHOZHAZELWUNCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c1-5(12)11-3-2-10-4-6(7,8)9/h10H,2-4H2,1H3,(H,11,12).
What are the key properties of N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide?
N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide has a molecular weight of 184.16 g/mol, XLogP of 0.27, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,2,2-trifluoroethylamino)ethyl]acetamide is sourced from PubChem (CID 43401592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).