2-chloro-N-(2,2,2-trifluoroethyl)acetamide

C4H5ClF3NO — CID 2369607

IUPAC2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CCl)NCC(F)(F)F
InChIInChI=1S/C4H5ClF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10)
InChIKeyIRIXZMVHMMALGW-UHFFFAOYSA-N
MW175.54 g/mol
LogP0.90
Rot. Bonds2

About 2-chloro-N-(2,2,2-trifluoroethyl)acetamide

2-chloro-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 2369607) has the molecular formula C4H5ClF3NO and a molecular weight of 175.54 g/mol. Its IUPAC name is 2-chloro-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID2369607
Molecular FormulaC4H5ClF3NO
Molecular Weight175.54 g/mol
Exact Mass175.00
IUPAC Name2-chloro-N-(2,2,2-trifluoroethyl)acetamide
SMILESO=C(CCl)NCC(F)(F)F
InChIInChI=1S/C4H5ClF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10)
InChIKeyIRIXZMVHMMALGW-UHFFFAOYSA-N
XLogP0.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.54
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of 2-chloro-N-(2,2,2-trifluoroethyl)acetamide (CID 2369607) is 2-chloro-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for 2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for 2-chloro-N-(2,2,2-trifluoroethyl)acetamide is O=C(CCl)NCC(F)(F)F.
What is the InChIKey of 2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is IRIXZMVHMMALGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF3NO/c5-1-3(10)9-2-4(6,7)8/h1-2H2,(H,9,10).
What are the key properties of 2-chloro-N-(2,2,2-trifluoroethyl)acetamide?
2-chloro-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 175.54 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 2369607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).