2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide

C10H10F3NOS — CID 89205407

IUPAC2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide
SMILESO=C(Cc1ccccc1)NSCC(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)7-16-14-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyAEFBLKBUZSXBTI-UHFFFAOYSA-N
MW249.26 g/mol
LogP2.56
Rot. Bonds4

About 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide

2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide (PubChem CID 89205407) has the molecular formula C10H10F3NOS and a molecular weight of 249.26 g/mol. Its IUPAC name is 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide.

Molecular Properties

Compound Name2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide
PubChem CID89205407
Molecular FormulaC10H10F3NOS
Molecular Weight249.26 g/mol
Exact Mass249.04
IUPAC Name2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide
SMILESO=C(Cc1ccccc1)NSCC(F)(F)F
InChIInChI=1S/C10H10F3NOS/c11-10(12,13)7-16-14-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15)
InChIKeyAEFBLKBUZSXBTI-UHFFFAOYSA-N
XLogP2.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-phenyl-N-[[(2-phenylacetyl)amino]methyl]acetamide
CID 13210427
S-[(2-phenylacetyl)disulfanyl] 2-phenylethanethioate
CID 139896881
(2-benzyl-1,3-diphenylpropan-2-yl)sulfanylurea
CID 174417066
1,3-diphenyl(213C)propan-2-one
CID 100945080
2-[4-[[2-(2,2,2-trifluoroethylsulfanyl)acetyl]amino]phenyl]acetic acid
CID 120537754
2-benzylsulfanyl-N-(2,2,2-trifluoroethyl)acetamide
CID 78760684
tetrakis(1,5-diphenylpentane-2,4-dione);zirconium(2+)
CID 18435295
2-phenylacetic acid;propanedioic acid
CID 159349511
1,3,3-trifluoro-5-phenylpentane-2,4-dione
CID 88513079
N-[4-(1,1,2,2,3,3,3-heptafluoropropylsulfanyl)phenyl]-2-phenylacetamide
CID 2217988
N-(2-phenylethyl)-2-[4-(trifluoromethyl)phenyl]acetamide
CID 58853713
2-phenylacetic acid;silver
CID 50912513

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide?
The IUPAC name of 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide (CID 89205407) is 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide.
What is the SMILES notation for 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide?
The canonical SMILES for 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide is O=C(Cc1ccccc1)NSCC(F)(F)F.
What is the InChIKey of 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide?
The InChIKey is AEFBLKBUZSXBTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NOS/c11-10(12,13)7-16-14-9(15)6-8-4-2-1-3-5-8/h1-5H,6-7H2,(H,14,15).
What are the key properties of 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide?
2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide has a molecular weight of 249.26 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-(2,2,2-trifluoroethylsulfanyl)acetamide is sourced from PubChem (CID 89205407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).