N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide

C9H6F5NO — CID 14148742

IUPACN-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C9H6F5NO/c1-4(16)15-8-3-6(10)5(2-7(8)11)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyJRPGTXRIPYBXHZ-UHFFFAOYSA-N
MW239.14 g/mol
LogP2.94
Rot. Bonds1

About N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide

N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide (PubChem CID 14148742) has the molecular formula C9H6F5NO and a molecular weight of 239.14 g/mol. Its IUPAC name is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
PubChem CID14148742
Molecular FormulaC9H6F5NO
Molecular Weight239.14 g/mol
Exact Mass239.04
IUPAC NameN-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(F)c(C(F)(F)F)cc1F
InChIInChI=1S/C9H6F5NO/c1-4(16)15-8-3-6(10)5(2-7(8)11)9(12,13)14/h2-3H,1H3,(H,15,16)
InChIKeyJRPGTXRIPYBXHZ-UHFFFAOYSA-N
XLogP2.94
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.14
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-[2-acetamido-4-bromo-5-(trifluoromethyl)phenyl]acetamide
CID 170906918
N-[2-bromo-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 23275300
1-[2,5-difluoro-4-(trifluoromethyl)phenyl]-3-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)ethyl]urea
CID 72923163
N-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]acetamide
CID 19810893
N-[4-bromo-3-fluoro-5-(trifluoromethyl)phenyl]acetamide
CID 59636055
1-[2,5-difluoro-4-(trifluoromethyl)phenyl]propan-1-one
CID 150013238
N-[2-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 66867834
N-[2,6-dimethyl-3,5-bis(trifluoromethyl)phenyl]acetamide
CID 4737648
1,4-difluoro-2-methyl-5-(trifluoromethyl)benzene
CID 51000124
N-[2-amino-4-(trifluoromethyl)phenyl]acetamide
CID 2779452
N-(4-chloro-2-fluorophenyl)acetamide;hydrochloride
CID 142696618

Frequently Asked Questions

What is the IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide (CID 14148742) is N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide is CC(=O)Nc1cc(F)c(C(F)(F)F)cc1F.
What is the InChIKey of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JRPGTXRIPYBXHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F5NO/c1-4(16)15-8-3-6(10)5(2-7(8)11)9(12,13)14/h2-3H,1H3,(H,15,16).
What are the key properties of N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide?
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 239.14 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 14148742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).