N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide

C9H6Cl2F3NO — CID 15148585

IUPACN-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyWITUFYOJZBYFOB-UHFFFAOYSA-N
MW272.05 g/mol
LogP3.17
Rot. Bonds2

About N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide

N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide (PubChem CID 15148585) has the molecular formula C9H6Cl2F3NO and a molecular weight of 272.05 g/mol. Its IUPAC name is N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide
PubChem CID15148585
Molecular FormulaC9H6Cl2F3NO
Molecular Weight272.05 g/mol
Exact Mass270.98
IUPAC NameN-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide
SMILESO=C(NCc1cc(Cl)ccc1Cl)C(F)(F)F
InChIInChI=1S/C9H6Cl2F3NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16)
InChIKeyWITUFYOJZBYFOB-UHFFFAOYSA-N
XLogP3.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.05
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-Chloro-N-(3-chlorobenzyl)acetamide
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N-[(2-chlorophenyl)methyl]-2,2-dimethylbutanamide
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N-(2-chlorobenzyl)-2-ethylbutanamide
CID 882091
N-[(2-chloro-6-fluorophenyl)methyl]acetamide
CID 2804271
N-[2-(2,4-dichlorophenyl)ethyl]-2,2,2-trifluoroacetamide
CID 62491259
2-chloro-N-[(2-chlorophenyl)methyl]propanamide
CID 16226980
N-[(1S)-1-(3-chloro-5-fluorophenyl)ethyl]acetamide
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CID 17071124

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide (CID 15148585) is N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide is O=C(NCc1cc(Cl)ccc1Cl)C(F)(F)F.
What is the InChIKey of N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide?
The InChIKey is WITUFYOJZBYFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2F3NO/c10-6-1-2-7(11)5(3-6)4-15-8(16)9(12,13)14/h1-3H,4H2,(H,15,16).
What are the key properties of N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide?
N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide has a molecular weight of 272.05 g/mol, XLogP of 3.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dichlorophenyl)methyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 15148585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).