2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide

C10H9ClF3NO — CID 166409220

IUPAC2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C10H9ClF3NO/c11-5-9(16)15-8-3-1-7(2-4-8)10(13,14)6-12/h1-4H,5-6H2,(H,15,16)
InChIKeyUHQKTBPDAMKDTK-UHFFFAOYSA-N
MW251.63 g/mol
LogP2.93
Rot. Bonds4

About 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide

2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide (PubChem CID 166409220) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
PubChem CID166409220
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(C(F)(F)CF)cc1
InChIInChI=1S/C10H9ClF3NO/c11-5-9(16)15-8-3-1-7(2-4-8)10(13,14)6-12/h1-4H,5-6H2,(H,15,16)
InChIKeyUHQKTBPDAMKDTK-UHFFFAOYSA-N
XLogP2.93
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-(4-fluorophenyl)acetamide
CID 532065
N-(4-aminophenyl)-2-chloroacetamide
CID 17325387
2-chloroacetyl chloride;2-chloro-N-(4-fluorophenyl)acetamide
CID 161093004
2-chloro-N-[4-[[4-[(2-chloroacetyl)amino]phenyl]diazenyl]phenyl]acetamide
CID 86022306
2-fluoro-N-[4-(1,1,2,2,2-pentafluoroethyl)phenyl]acetamide
CID 23200262
2-chloro-N-(4-pyrimidin-5-ylphenyl)acetamide
CID 166404220
2-chloro-N-[4-[2-(propylsulfamoyl)propan-2-yl]phenyl]acetamide
CID 70286579
2-chloro-N-[3-(1,1-difluoroethyl)-4-fluorophenyl]acetamide
CID 166428368
2-chloro-N-[4-chloro-3-(trifluoromethyl)phenyl]acetamide;ethane
CID 142867328
2-chloro-N-[4-(4-fluorophenyl)sulfonylphenyl]acetamide
CID 3410124
4-[(2-chloroacetyl)amino]-N-propan-2-ylbenzamide
CID 16640627
2-chloro-N-(3-fluorophenyl)acetamide
CID 2388931

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide (CID 166409220) is 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide is O=C(CCl)Nc1ccc(C(F)(F)CF)cc1.
What is the InChIKey of 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide?
The InChIKey is UHQKTBPDAMKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-5-9(16)15-8-3-1-7(2-4-8)10(13,14)6-12/h1-4H,5-6H2,(H,15,16).
What are the key properties of 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide?
2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide has a molecular weight of 251.63 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-(1,1,2-trifluoroethyl)phenyl]acetamide is sourced from PubChem (CID 166409220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).