2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide

C11H8F7NO3S — CID 25206229

IUPAC2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESNC(=O)C(F)(c1cc(F)c(F)c(F)c1)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C11H8F7NO3S/c12-6-3-5(4-7(13)8(6)14)11(18,9(19)20)23(21,22)2-1-10(15,16)17/h3-4H,1-2H2,(H2,19,20)
InChIKeyTVLZVGRXWCGNDN-UHFFFAOYSA-N
MW367.24 g/mol
LogP2.08
Rot. Bonds5

About 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide

2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide (PubChem CID 25206229) has the molecular formula C11H8F7NO3S and a molecular weight of 367.24 g/mol. Its IUPAC name is 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide.

Molecular Properties

Compound Name2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
PubChem CID25206229
Molecular FormulaC11H8F7NO3S
Molecular Weight367.24 g/mol
Exact Mass367.01
IUPAC Name2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide
SMILESNC(=O)C(F)(c1cc(F)c(F)c(F)c1)S(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C11H8F7NO3S/c12-6-3-5(4-7(13)8(6)14)11(18,9(19)20)23(21,22)2-1-10(15,16)17/h3-4H,1-2H2,(H2,19,20)
InChIKeyTVLZVGRXWCGNDN-UHFFFAOYSA-N
XLogP2.08
TPSA77.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(4-Fluorophenyl)methylsulfanyl]-2-phenylacetamide
CID 162671707
N-(phenylacetyl)trifluoromethanesulfonamide
CID 10038595
2-(4-(Ethylsulfonyl)phenyl)acetamide
CID 82494716
2-(Ethanesulfonyl)-2-(4-fluorophenyl)-2-phenylethanimidic acid
CID 26614
2-(4-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 45794453
2-(2-fluorophenyl)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide
CID 4881388
2-Cyclopentylsulfanyl-2-(4-fluorophenyl)acetamide
CID 45863814
N-cyclopentylsulfonyl-2-(2-fluorophenyl)acetamide
CID 71857492
2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 71869410
2-(2-fluorophenyl)-N-propylsulfonylacetamide
CID 72005951
2-(2,6-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)acetamide
CID 84586609
(2R)-2-(2,4-difluorophenyl)-N-(2,2-dimethylpropylsulfonyl)propanamide
CID 96519573

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The IUPAC name of 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide (CID 25206229) is 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide.
What is the SMILES notation for 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The canonical SMILES for 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide is NC(=O)C(F)(c1cc(F)c(F)c(F)c1)S(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
The InChIKey is TVLZVGRXWCGNDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F7NO3S/c12-6-3-5(4-7(13)8(6)14)11(18,9(19)20)23(21,22)2-1-10(15,16)17/h3-4H,1-2H2,(H2,19,20).
What are the key properties of 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide?
2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide has a molecular weight of 367.24 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(3,4,5-trifluorophenyl)-2-(3,3,3-trifluoropropylsulfonyl)acetamide is sourced from PubChem (CID 25206229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).