N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide

C8H4ClF4NO — CID 103646595

IUPACN-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C8H4ClF4NO/c9-5-2-1-4(10)3-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyRZPMBFNSMNWRQG-UHFFFAOYSA-N
MW241.57 g/mol
LogP2.98
Rot. Bonds1

About N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide

N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide (PubChem CID 103646595) has the molecular formula C8H4ClF4NO and a molecular weight of 241.57 g/mol. Its IUPAC name is N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
PubChem CID103646595
Molecular FormulaC8H4ClF4NO
Molecular Weight241.57 g/mol
Exact Mass240.99
IUPAC NameN-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
SMILESO=C(Nc1cc(F)ccc1Cl)C(F)(F)F
InChIInChI=1S/C8H4ClF4NO/c9-5-2-1-4(10)3-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15)
InChIKeyRZPMBFNSMNWRQG-UHFFFAOYSA-N
XLogP2.98
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.57
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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CID 62492319
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
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1-[2-chloro-5-(trifluoromethyl)phenyl]-3-(2,4-difluorophenyl)urea
CID 17265299
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107530858
N-(4,5-dichloro-2-methylphenyl)-2,2,2-trifluoroacetamide
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CID 103552439

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide?
The IUPAC name of N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide (CID 103646595) is N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide?
The canonical SMILES for N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide is O=C(Nc1cc(F)ccc1Cl)C(F)(F)F.
What is the InChIKey of N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide?
The InChIKey is RZPMBFNSMNWRQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4ClF4NO/c9-5-2-1-4(10)3-6(5)14-7(15)8(11,12)13/h1-3H,(H,14,15).
What are the key properties of N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide?
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide has a molecular weight of 241.57 g/mol, XLogP of 2.98, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide is sourced from PubChem (CID 103646595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).