N-(4-chlorophenyl)-2,2,2-trifluoroacetamide

C8H5ClF3NO — CID 9830

IUPACN-(4-chlorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyPEFCIPXJRCETGI-UHFFFAOYSA-N
MW223.58 g/mol
LogP2.84
Rot. Bonds1

About N-(4-chlorophenyl)-2,2,2-trifluoroacetamide

N-(4-chlorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 9830) has the molecular formula C8H5ClF3NO and a molecular weight of 223.58 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2,2,2-trifluoroacetamide
PubChem CID9830
Molecular FormulaC8H5ClF3NO
Molecular Weight223.58 g/mol
Exact Mass223.00
IUPAC NameN-(4-chlorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1ccc(Cl)cc1)C(F)(F)F
InChIInChI=1S/C8H5ClF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14)
InChIKeyPEFCIPXJRCETGI-UHFFFAOYSA-N
XLogP2.84
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.58
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Propanil
CID 4933
4-Chlorophenylurea
CID 8796
N-(4-Chlorophenyl)acetamide
CID 10871
N-(3-Chlorophenyl)acetamide
CID 11493
p-Chloroacetoacetanilide
CID 7587
3,4-Dichloroacetanilide
CID 16530
Monalide
CID 23715
Acetamide, N-(2,5-dichlorophenyl)-
CID 17494
Acetamide, N-(2,4-dichlorophenyl)-
CID 81459
o-Chloroacetanilide
CID 10777
2,4'-Dichloroacetanilide
CID 94920
1-(4-Chlorophenyl)-1H-pyrrole-2,5-dione
CID 15400

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(4-chlorophenyl)-2,2,2-trifluoroacetamide (CID 9830) is N-(4-chlorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(4-chlorophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1ccc(Cl)cc1)C(F)(F)F.
What is the InChIKey of N-(4-chlorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is PEFCIPXJRCETGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF3NO/c9-5-1-3-6(4-2-5)13-7(14)8(10,11)12/h1-4H,(H,13,14).
What are the key properties of N-(4-chlorophenyl)-2,2,2-trifluoroacetamide?
N-(4-chlorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 223.58 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 9830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).