2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole

C15H12F2N4S — CID 52801178

IUPAC2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole
SMILESFC(F)Sc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12F2N4S/c16-15(17)22-13-8-6-11(7-9-13)10-21-19-14(18-20-21)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyFEYCKIFWZBVCHF-UHFFFAOYSA-N
MW318.35 g/mol
LogP3.70
Rot. Bonds5

About 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole

2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole (PubChem CID 52801178) has the molecular formula C15H12F2N4S and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole.

Molecular Properties

Compound Name2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole
PubChem CID52801178
Molecular FormulaC15H12F2N4S
Molecular Weight318.35 g/mol
Exact Mass318.08
IUPAC Name2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole
SMILESFC(F)Sc1ccc(Cn2nnc(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H12F2N4S/c16-15(17)22-13-8-6-11(7-9-13)10-21-19-14(18-20-21)12-4-2-1-3-5-12/h1-9,15H,10H2
InChIKeyFEYCKIFWZBVCHF-UHFFFAOYSA-N
XLogP3.70
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole?
The IUPAC name of 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole (CID 52801178) is 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole.
What is the SMILES notation for 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole?
The canonical SMILES for 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole is FC(F)Sc1ccc(Cn2nnc(-c3ccccc3)n2)cc1.
What is the InChIKey of 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole?
The InChIKey is FEYCKIFWZBVCHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4S/c16-15(17)22-13-8-6-11(7-9-13)10-21-19-14(18-20-21)12-4-2-1-3-5-12/h1-9,15H,10H2.
What are the key properties of 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole?
2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole has a molecular weight of 318.35 g/mol, XLogP of 3.70, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(difluoromethylsulfanyl)phenyl]methyl]-5-phenyltetrazole is sourced from PubChem (CID 52801178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).