N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide

C10H9ClF3NOS — CID 102314427

IUPACN-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(Cl)C(F)(F)F)cc1
InChIInChI=1S/C10H9ClF3NOS/c1-6(16)15-7-2-4-8(5-3-7)17-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16)
InChIKeyAUVZFBZJEFPJPL-UHFFFAOYSA-N
MW283.70 g/mol
LogP3.86
Rot. Bonds3

About N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide

N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide (PubChem CID 102314427) has the molecular formula C10H9ClF3NOS and a molecular weight of 283.70 g/mol. Its IUPAC name is N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide
PubChem CID102314427
Molecular FormulaC10H9ClF3NOS
Molecular Weight283.70 g/mol
Exact Mass283.00
IUPAC NameN-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(Cl)C(F)(F)F)cc1
InChIInChI=1S/C10H9ClF3NOS/c1-6(16)15-7-2-4-8(5-3-7)17-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16)
InChIKeyAUVZFBZJEFPJPL-UHFFFAOYSA-N
XLogP3.86
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.70
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
CID 162538856
N-[4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]phenyl]acetamide
CID 103309343
4-acetamido-N-(4-propan-2-ylsulfanylphenyl)benzamide
CID 110793142
2-(4-acetamidophenyl)sulfanyl-N-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)phenyl]propanamide
CID 22783012
2-(4-acetamidophenyl)sulfanyl-N-[2-chloro-5-(trifluoromethyl)phenyl]propanamide
CID 4968943
N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
(2R)-2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 129365377
(2R)-2-(4-acetamidophenyl)sulfanyl-N-(4-methylphenyl)propanamide
CID 2113012
2-(4-acetamidophenyl)sulfanyl-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 55829286
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
N-[4-(1-oxo-1-phenylpropan-2-yl)sulfanylphenyl]acetamide
CID 43413830
N-[4-(1-hydrazinyl-1-oxobutan-2-yl)sulfanylphenyl]acetamide
CID 63582470

Frequently Asked Questions

What is the IUPAC name of N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide?
The IUPAC name of N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide (CID 102314427) is N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide.
What is the SMILES notation for N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide?
The canonical SMILES for N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide is CC(=O)Nc1ccc(SC(Cl)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide?
The InChIKey is AUVZFBZJEFPJPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NOS/c1-6(16)15-7-2-4-8(5-3-7)17-9(11)10(12,13)14/h2-5,9H,1H3,(H,15,16).
What are the key properties of N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide?
N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide has a molecular weight of 283.70 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide is sourced from PubChem (CID 102314427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).