N-(1-chloro-2,2,2-trifluoroethyl)acetamide

C4H5ClF3NO — CID 11095145

IUPACN-(1-chloro-2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)NC(Cl)C(F)(F)F
InChIInChI=1S/C4H5ClF3NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10)
InChIKeyRGGUXSGDGBRMIK-UHFFFAOYSA-N
MW175.54 g/mol
LogP1.25
Rot. Bonds1

About N-(1-chloro-2,2,2-trifluoroethyl)acetamide

N-(1-chloro-2,2,2-trifluoroethyl)acetamide (PubChem CID 11095145) has the molecular formula C4H5ClF3NO and a molecular weight of 175.54 g/mol. Its IUPAC name is N-(1-chloro-2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(1-chloro-2,2,2-trifluoroethyl)acetamide
PubChem CID11095145
Molecular FormulaC4H5ClF3NO
Molecular Weight175.54 g/mol
Exact Mass175.00
IUPAC NameN-(1-chloro-2,2,2-trifluoroethyl)acetamide
SMILESCC(=O)NC(Cl)C(F)(F)F
InChIInChI=1S/C4H5ClF3NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10)
InChIKeyRGGUXSGDGBRMIK-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.54
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1-chloro-2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(1-chloro-2,2,2-trifluoroethyl)acetamide (CID 11095145) is N-(1-chloro-2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(1-chloro-2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(1-chloro-2,2,2-trifluoroethyl)acetamide is CC(=O)NC(Cl)C(F)(F)F.
What is the InChIKey of N-(1-chloro-2,2,2-trifluoroethyl)acetamide?
The InChIKey is RGGUXSGDGBRMIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5ClF3NO/c1-2(10)9-3(5)4(6,7)8/h3H,1H3,(H,9,10).
What are the key properties of N-(1-chloro-2,2,2-trifluoroethyl)acetamide?
N-(1-chloro-2,2,2-trifluoroethyl)acetamide has a molecular weight of 175.54 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloro-2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 11095145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).