sulfane;2,3,4-trifluoropyridine

C5H4F3NS — CID 158959842

IUPACsulfane;2,3,4-trifluoropyridine
SMILESFc1ccnc(F)c1F.S
InChIInChI=1S/C5H2F3N.H2S/c6-3-1-2-9-5(8)4(3)7;/h1-2H;1H2
InChIKeyHFXQKKNHAFAWSK-UHFFFAOYSA-N
MW167.16 g/mol
LogP1.61
Rot. Bonds

About sulfane;2,3,4-trifluoropyridine

sulfane;2,3,4-trifluoropyridine (PubChem CID 158959842) has the molecular formula C5H4F3NS and a molecular weight of 167.16 g/mol. Its IUPAC name is sulfane;2,3,4-trifluoropyridine.

Molecular Properties

Compound Namesulfane;2,3,4-trifluoropyridine
PubChem CID158959842
Molecular FormulaC5H4F3NS
Molecular Weight167.16 g/mol
Exact Mass167.00
IUPAC Namesulfane;2,3,4-trifluoropyridine
SMILESFc1ccnc(F)c1F.S
InChIInChI=1S/C5H2F3N.H2S/c6-3-1-2-9-5(8)4(3)7;/h1-2H;1H2
InChIKeyHFXQKKNHAFAWSK-UHFFFAOYSA-N
XLogP1.61
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

3,4-difluoro-2-iodopyridine
CID 129282241
3-tert-butyl-2,4-difluoropyridine
CID 165371887
3-(2,6-dichlorophenyl)-2,4-difluoropyridine
CID 133090559
1-(2,3-difluoro-4-pyridinyl)-2,2,2-trifluoroethanone
CID 171367494
3,4-difluoropyridine-2-carboximidamide
CID 137371718
N-(2,6-difluorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380320
ethane;4-fluoro-2,3-dimethylpyridine
CID 176718154
6-(2,3-difluoro-4-pyridinyl)-1,7-naphthyridine
CID 126751918
N-(4-chlorophenyl)-2,3-difluoropyridine-4-carboxamide
CID 105380159
2-(2,3-difluoro-4-pyridinyl)-N-methylaniline
CID 154001326
4-bromo-2,3-difluoropyridine;5-bromo-4-fluoro-2-methoxypyridine
CID 146592444
3-bromo-4-fluoropyridin-2-amine
CID 71627068

Frequently Asked Questions

What is the IUPAC name of sulfane;2,3,4-trifluoropyridine?
The IUPAC name of sulfane;2,3,4-trifluoropyridine (CID 158959842) is sulfane;2,3,4-trifluoropyridine.
What is the SMILES notation for sulfane;2,3,4-trifluoropyridine?
The canonical SMILES for sulfane;2,3,4-trifluoropyridine is Fc1ccnc(F)c1F.S.
What is the InChIKey of sulfane;2,3,4-trifluoropyridine?
The InChIKey is HFXQKKNHAFAWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F3N.H2S/c6-3-1-2-9-5(8)4(3)7;/h1-2H;1H2.
What are the key properties of sulfane;2,3,4-trifluoropyridine?
sulfane;2,3,4-trifluoropyridine has a molecular weight of 167.16 g/mol, XLogP of 1.61, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for sulfane;2,3,4-trifluoropyridine is sourced from PubChem (CID 158959842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).