2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol

C11H7Cl2F3N2OS — CID 22341003

IUPAC2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1SC(F)F
InChIInChI=1S/C11H7Cl2F3N2OS/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3
InChIKeyGBYRWFBOOBPTRP-UHFFFAOYSA-N
MW343.16 g/mol
LogP4.55
Rot. Bonds3

About 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol

2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol (PubChem CID 22341003) has the molecular formula C11H7Cl2F3N2OS and a molecular weight of 343.16 g/mol. Its IUPAC name is 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol.

Molecular Properties

Compound Name2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol
PubChem CID22341003
Molecular FormulaC11H7Cl2F3N2OS
Molecular Weight343.16 g/mol
Exact Mass341.96
IUPAC Name2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol
SMILESCn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1SC(F)F
InChIInChI=1S/C11H7Cl2F3N2OS/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3
InChIKeyGBYRWFBOOBPTRP-UHFFFAOYSA-N
XLogP4.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.16
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol?
The IUPAC name of 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol (CID 22341003) is 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol.
What is the SMILES notation for 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol?
The canonical SMILES for 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol is Cn1nc(-c2cc(O)c(Cl)cc2F)c(Cl)c1SC(F)F.
What is the InChIKey of 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol?
The InChIKey is GBYRWFBOOBPTRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7Cl2F3N2OS/c1-18-10(20-11(15)16)8(13)9(17-18)4-2-7(19)5(12)3-6(4)14/h2-3,11,19H,1H3.
What are the key properties of 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol?
2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol has a molecular weight of 343.16 g/mol, XLogP of 4.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[4-chloro-5-(difluoromethylsulfanyl)-1-methylpyrazol-3-yl]-4-fluorophenol is sourced from PubChem (CID 22341003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).