N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide

C11H11F4NOS — CID 175504026

IUPACN-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(SC(F)C(F)F)c(C)cc1F
InChIInChI=1S/C11H11F4NOS/c1-5-3-7(12)8(16-6(2)17)4-9(5)18-11(15)10(13)14/h3-4,10-11H,1-2H3,(H,16,17)
InChIKeyCNPVKEMRCQXMME-UHFFFAOYSA-N
MW281.27 g/mol
LogP3.75
Rot. Bonds4

About N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide

N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide (PubChem CID 175504026) has the molecular formula C11H11F4NOS and a molecular weight of 281.27 g/mol. Its IUPAC name is N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
PubChem CID175504026
Molecular FormulaC11H11F4NOS
Molecular Weight281.27 g/mol
Exact Mass281.05
IUPAC NameN-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1cc(SC(F)C(F)F)c(C)cc1F
InChIInChI=1S/C11H11F4NOS/c1-5-3-7(12)8(16-6(2)17)4-9(5)18-11(15)10(13)14/h3-4,10-11H,1-2H3,(H,16,17)
InChIKeyCNPVKEMRCQXMME-UHFFFAOYSA-N
XLogP3.75
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-methoxy-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide
CID 175407418
1-(2-chloroethyl)-3-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]thiourea
CID 175407408
N-(4-acetamido-2,5-difluorophenyl)acetamide
CID 176892585
N-(4-cyano-2-fluoro-5-methylphenyl)-3-oxobutanamide
CID 54244521
tert-butyl 2-(5-acetamido-2,4-difluorophenyl)sulfanyl-3-methylbutanoate
CID 139689706
N-[2,5-difluoro-4-(trifluoromethyl)phenyl]acetamide
CID 14148742
propyl 2-(5-acetamido-2-bromo-4-fluorophenyl)sulfanylpropanoate
CID 139690057
methyl N-[2-fluoro-4-methyl-5-(trifluoromethoxy)phenyl]carbamate
CID 164584342
N-(3-acetamido-4-fluorophenyl)-2,2-difluoroacetamide
CID 113220904
N-(5-fluoro-2-methyl-4-sulfamoylphenyl)acetamide
CID 20553706
ethyl 2-[2,4-difluoro-5-(propanoylamino)phenyl]sulfanylpropanoate
CID 139689608
N-(2-fluoro-4,6-dimethylphenyl)acetamide
CID 126993830

Frequently Asked Questions

What is the IUPAC name of N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide (CID 175504026) is N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide is CC(=O)Nc1cc(SC(F)C(F)F)c(C)cc1F.
What is the InChIKey of N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is CNPVKEMRCQXMME-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NOS/c1-5-3-7(12)8(16-6(2)17)4-9(5)18-11(15)10(13)14/h3-4,10-11H,1-2H3,(H,16,17).
What are the key properties of N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide?
N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 281.27 g/mol, XLogP of 3.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-fluoro-4-methyl-5-(1,2,2-trifluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 175504026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).