(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide

C9H6F5NOS — CID 7467364

IUPAC(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1c(F)c(F)c(F)c(F)c1F)C(N)=O
InChIInChI=1S/C9H6F5NOS/c1-2(9(15)16)17-8-6(13)4(11)3(10)5(12)7(8)14/h2H,1H3,(H2,15,16)/t2-/m1/s1
InChIKeyTUVPJNPHDSHKKM-UWTATZPHSA-N
MW271.21 g/mol
LogP2.35
Rot. Bonds3

About (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide

(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide (PubChem CID 7467364) has the molecular formula C9H6F5NOS and a molecular weight of 271.21 g/mol. Its IUPAC name is (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide
PubChem CID7467364
Molecular FormulaC9H6F5NOS
Molecular Weight271.21 g/mol
Exact Mass271.01
IUPAC Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1c(F)c(F)c(F)c(F)c1F)C(N)=O
InChIInChI=1S/C9H6F5NOS/c1-2(9(15)16)17-8-6(13)4(11)3(10)5(12)7(8)14/h2H,1H3,(H2,15,16)/t2-/m1/s1
InChIKeyTUVPJNPHDSHKKM-UWTATZPHSA-N
XLogP2.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.21
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide (CID 7467364) is (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide is C[C@@H](Sc1c(F)c(F)c(F)c(F)c1F)C(N)=O.
What is the InChIKey of (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide?
The InChIKey is TUVPJNPHDSHKKM-UWTATZPHSA-N. The full InChI is InChI=1S/C9H6F5NOS/c1-2(9(15)16)17-8-6(13)4(11)3(10)5(12)7(8)14/h2H,1H3,(H2,15,16)/t2-/m1/s1.
What are the key properties of (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide?
(2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide has a molecular weight of 271.21 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,4,5,6-pentafluorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7467364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).