2-(2,4-difluorophenyl)-2-phenylethanethioamide

C14H11F2NS — CID 174794520

IUPAC2-(2,4-difluorophenyl)-2-phenylethanethioamide
SMILESNC(=S)C(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NS/c15-10-6-7-11(12(16)8-10)13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18)
InChIKeyLEGVDFJNYHNWCA-UHFFFAOYSA-N
MW263.31 g/mol
LogP3.38
Rot. Bonds3

About 2-(2,4-difluorophenyl)-2-phenylethanethioamide

2-(2,4-difluorophenyl)-2-phenylethanethioamide (PubChem CID 174794520) has the molecular formula C14H11F2NS and a molecular weight of 263.31 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-phenylethanethioamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-phenylethanethioamide
PubChem CID174794520
Molecular FormulaC14H11F2NS
Molecular Weight263.31 g/mol
Exact Mass263.06
IUPAC Name2-(2,4-difluorophenyl)-2-phenylethanethioamide
SMILESNC(=S)C(c1ccccc1)c1ccc(F)cc1F
InChIInChI=1S/C14H11F2NS/c15-10-6-7-11(12(16)8-10)13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18)
InChIKeyLEGVDFJNYHNWCA-UHFFFAOYSA-N
XLogP3.38
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thio_amide_C(2)', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
2-(azepan-1-yl)-2-(2,4-difluorophenyl)ethanethioamide
CID 84748603
1-(2,4-difluorophenyl)-N-methyl-1-phenylmethanamine
CID 43481546
2-(2-fluorophenyl)-2-phenylacetamide
CID 122446902
N'-[(S)-(2,4-difluorophenyl)-phenylmethyl]ethane-1,2-diamine
CID 51623966
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
(3-aminophenyl)-(2,4-difluorophenyl)methanol
CID 106695899
2-anilino-2-(2,4-difluorophenyl)acetamide
CID 54889357
2-(4-benzoyl-2-fluorophenyl)-1,2-diphenylethanone
CID 102314756
(2,4-difluorophenyl)methanediamine
CID 116939170
(2,4-difluorophenyl)methanediol
CID 91089962
2-(2,4-difluorophenyl)-2-pyridin-2-ylacetic acid
CID 116824693

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-phenylethanethioamide?
The IUPAC name of 2-(2,4-difluorophenyl)-2-phenylethanethioamide (CID 174794520) is 2-(2,4-difluorophenyl)-2-phenylethanethioamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-phenylethanethioamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-phenylethanethioamide is NC(=S)C(c1ccccc1)c1ccc(F)cc1F.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-phenylethanethioamide?
The InChIKey is LEGVDFJNYHNWCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NS/c15-10-6-7-11(12(16)8-10)13(14(17)18)9-4-2-1-3-5-9/h1-8,13H,(H2,17,18).
What are the key properties of 2-(2,4-difluorophenyl)-2-phenylethanethioamide?
2-(2,4-difluorophenyl)-2-phenylethanethioamide has a molecular weight of 263.31 g/mol, XLogP of 3.38, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-phenylethanethioamide is sourced from PubChem (CID 174794520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).