N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide

C9H15ClF3NO2 — CID 103212161

IUPACN-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCN(CCCl)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-2-4-14(5-3-10)8(15)6-16-7-9(11,12)13/h2-7H2,1H3
InChIKeySZGOWEZWENEOLV-UHFFFAOYSA-N
MW261.67 g/mol
LogP2.04
Rot. Bonds7

About N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide

N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 103212161) has the molecular formula C9H15ClF3NO2 and a molecular weight of 261.67 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID103212161
Molecular FormulaC9H15ClF3NO2
Molecular Weight261.67 g/mol
Exact Mass261.07
IUPAC NameN-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide
SMILESCCCN(CCCl)C(=O)COCC(F)(F)F
InChIInChI=1S/C9H15ClF3NO2/c1-2-4-14(5-3-10)8(15)6-16-7-9(11,12)13/h2-7H2,1H3
InChIKeySZGOWEZWENEOLV-UHFFFAOYSA-N
XLogP2.04
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.67
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(2-chloroethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103212677
N-propyl-N-(pyrrolidin-2-ylmethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 106610292
N-butyl-N-(2-chloroethyl)-2-ethoxyacetamide
CID 63391075
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103857573
2-[2-(dipropylamino)-2-oxoethoxy]-N-methyl-N-propylacetamide
CID 153278734
N-(2-chloroethyl)-N-methyl-3-(2,2,2-trifluoroethoxy)propanamide
CID 103212140
2-(2-aminoethoxy)-N-propyl-N-(2,2,2-trifluoroethyl)acetamide
CID 79473764
N-butan-2-yl-N-butyl-2-(2,2,2-trifluoroethoxy)acetamide
CID 78883098
N-(2-chloroethyl)-N-(2,2,2-trifluoroethyl)butanamide
CID 107492053
N-butyl-N-(2-chloroethyl)propanamide
CID 63390792
2-[3-[2-(dioctylamino)-2-oxoethoxy]-2-[[2-(dioctylamino)-2-oxoethoxy]methyl]-2-methylpropoxy]-N,N-dioctylacetamide
CID 174303360
2-[2-(1,3-dioxoisoindol-2-yl)-2-methylpropoxy]-N,N-dipropylacetamide
CID 84572767

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide (CID 103212161) is N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide is CCCN(CCCl)C(=O)COCC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is SZGOWEZWENEOLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF3NO2/c1-2-4-14(5-3-10)8(15)6-16-7-9(11,12)13/h2-7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide?
N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 261.67 g/mol, XLogP of 2.04, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-propyl-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 103212161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).