N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide

C10H8F5NOS — CID 162538856

IUPACN-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F5NOS/c1-6(17)16-7-2-4-8(5-3-7)18-10(14,15)9(11,12)13/h2-5H,1H3,(H,16,17)
InChIKeyAPTQIXRAFUORMN-UHFFFAOYSA-N
MW285.24 g/mol
LogP3.89
Rot. Bonds3

About N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide

N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide (PubChem CID 162538856) has the molecular formula C10H8F5NOS and a molecular weight of 285.24 g/mol. Its IUPAC name is N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide.

Molecular Properties

Compound NameN-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
PubChem CID162538856
Molecular FormulaC10H8F5NOS
Molecular Weight285.24 g/mol
Exact Mass285.02
IUPAC NameN-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide
SMILESCC(=O)Nc1ccc(SC(F)(F)C(F)(F)F)cc1
InChIInChI=1S/C10H8F5NOS/c1-6(17)16-7-2-4-8(5-3-7)18-10(14,15)9(11,12)13/h2-5H,1H3,(H,16,17)
InChIKeyAPTQIXRAFUORMN-UHFFFAOYSA-N
XLogP3.89
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.24
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(2-aminopropan-2-ylsulfanyl)phenyl]acetamide
CID 117032539
molecular nitrogen;N-[4-(trifluoromethyl)phenyl]acetamide
CID 175275825
N-[4-(1-chloro-2,2,2-trifluoroethyl)sulfanylphenyl]acetamide
CID 102314427
[4-(trifluoromethylsulfanyl)phenyl]carbamic acid
CID 146357026
(2R)-2-[(4-acetamidophenyl)sulfanylmethyl]-3,3,3-trifluoro-2-hydroxypropanoic acid
CID 129365377
N-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-2-phenylacetamide
CID 2217988
(E)-4-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)anilino]-4-oxobut-2-enoate
CID 2068102
2-methoxy-N-[4-(trifluoromethylsulfanyl)phenyl]acetamide
CID 60719081
3-chloro-2,2-dimethyl-N-[4-(trifluoromethylsulfanyl)phenyl]propanamide
CID 63680173
N-(4-acetamidophenyl)-2-(trifluoromethylsulfanyl)propanamide
CID 42959299
N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
N-[4-(2-hydroxyethylsulfanyl)phenyl]acetamide
CID 611088

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide?
The IUPAC name of N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide (CID 162538856) is N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide.
What is the SMILES notation for N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide?
The canonical SMILES for N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide is CC(=O)Nc1ccc(SC(F)(F)C(F)(F)F)cc1.
What is the InChIKey of N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide?
The InChIKey is APTQIXRAFUORMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F5NOS/c1-6(17)16-7-2-4-8(5-3-7)18-10(14,15)9(11,12)13/h2-5H,1H3,(H,16,17).
What are the key properties of N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide?
N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide has a molecular weight of 285.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,1,2,2,2-pentafluoroethylsulfanyl)phenyl]acetamide is sourced from PubChem (CID 162538856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).