N-(3,4-difluorophenyl)-2-fluoroethanethioamide

C8H6F3NS — CID 118863906

IUPACN-(3,4-difluorophenyl)-2-fluoroethanethioamide
SMILESFCC(=S)Nc1ccc(F)c(F)c1
InChIInChI=1S/C8H6F3NS/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)
InChIKeyJSGNXTPLXVMHEV-UHFFFAOYSA-N
MW205.20 g/mol
LogP2.67
Rot. Bonds2

About N-(3,4-difluorophenyl)-2-fluoroethanethioamide

N-(3,4-difluorophenyl)-2-fluoroethanethioamide (PubChem CID 118863906) has the molecular formula C8H6F3NS and a molecular weight of 205.20 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-2-fluoroethanethioamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-2-fluoroethanethioamide
PubChem CID118863906
Molecular FormulaC8H6F3NS
Molecular Weight205.20 g/mol
Exact Mass205.02
IUPAC NameN-(3,4-difluorophenyl)-2-fluoroethanethioamide
SMILESFCC(=S)Nc1ccc(F)c(F)c1
InChIInChI=1S/C8H6F3NS/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13)
InChIKeyJSGNXTPLXVMHEV-UHFFFAOYSA-N
XLogP2.67
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-2-fluoroethanethioamide?
The IUPAC name of N-(3,4-difluorophenyl)-2-fluoroethanethioamide (CID 118863906) is N-(3,4-difluorophenyl)-2-fluoroethanethioamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-2-fluoroethanethioamide?
The canonical SMILES for N-(3,4-difluorophenyl)-2-fluoroethanethioamide is FCC(=S)Nc1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-2-fluoroethanethioamide?
The InChIKey is JSGNXTPLXVMHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F3NS/c9-4-8(13)12-5-1-2-6(10)7(11)3-5/h1-3H,4H2,(H,12,13).
What are the key properties of N-(3,4-difluorophenyl)-2-fluoroethanethioamide?
N-(3,4-difluorophenyl)-2-fluoroethanethioamide has a molecular weight of 205.20 g/mol, XLogP of 2.67, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-2-fluoroethanethioamide is sourced from PubChem (CID 118863906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).