5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole

C9H5F3N2S — CID 139624534

IUPAC5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Sc1c(F)cccc1F
InChIInChI=1S/C9H5F3N2S/c10-5-2-1-3-6(11)8(5)15-9-7(12)4-13-14-9/h1-4H,(H,13,14)
InChIKeySNCUTHAORWONGJ-UHFFFAOYSA-N
MW230.21 g/mol
LogP2.98
Rot. Bonds2

About 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole

5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole (PubChem CID 139624534) has the molecular formula C9H5F3N2S and a molecular weight of 230.21 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole
PubChem CID139624534
Molecular FormulaC9H5F3N2S
Molecular Weight230.21 g/mol
Exact Mass230.01
IUPAC Name5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole
SMILESFc1cn[nH]c1Sc1c(F)cccc1F
InChIInChI=1S/C9H5F3N2S/c10-5-2-1-3-6(11)8(5)15-9-7(12)4-13-14-9/h1-4H,(H,13,14)
InChIKeySNCUTHAORWONGJ-UHFFFAOYSA-N
XLogP2.98
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole?
The IUPAC name of 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole (CID 139624534) is 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole.
What is the SMILES notation for 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole?
The canonical SMILES for 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole is Fc1cn[nH]c1Sc1c(F)cccc1F.
What is the InChIKey of 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole?
The InChIKey is SNCUTHAORWONGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3N2S/c10-5-2-1-3-6(11)8(5)15-9-7(12)4-13-14-9/h1-4H,(H,13,14).
What are the key properties of 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole?
5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole has a molecular weight of 230.21 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)sulfanyl-4-fluoro-1H-pyrazole is sourced from PubChem (CID 139624534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).