N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

C10H15ClF3NO2 — CID 107492209

IUPACN-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCO1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H15ClF3NO2/c11-3-4-15(7-10(12,13)14)9(16)6-8-2-1-5-17-8/h8H,1-7H2
InChIKeyWYJFQPWTGXFEBG-UHFFFAOYSA-N
MW273.68 g/mol
LogP2.19
Rot. Bonds5

About N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 107492209) has the molecular formula C10H15ClF3NO2 and a molecular weight of 273.68 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID107492209
Molecular FormulaC10H15ClF3NO2
Molecular Weight273.68 g/mol
Exact Mass273.07
IUPAC NameN-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CC1CCCO1)N(CCCl)CC(F)(F)F
InChIInChI=1S/C10H15ClF3NO2/c11-3-4-15(7-10(12,13)14)9(16)6-8-2-1-5-17-8/h8H,1-7H2
InChIKeyWYJFQPWTGXFEBG-UHFFFAOYSA-N
XLogP2.19
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.68
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 107492209) is N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is O=C(CC1CCCO1)N(CCCl)CC(F)(F)F.
What is the InChIKey of N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is WYJFQPWTGXFEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClF3NO2/c11-3-4-15(7-10(12,13)14)9(16)6-8-2-1-5-17-8/h8H,1-7H2.
What are the key properties of N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 273.68 g/mol, XLogP of 2.19, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(oxolan-2-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 107492209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).