1-[4-(difluoromethylsulfinyl)phenyl]tetrazole

C8H6F2N4OS — CID 21450967

IUPAC1-[4-(difluoromethylsulfinyl)phenyl]tetrazole
SMILESO=S(c1ccc(-n2cnnn2)cc1)C(F)F
InChIInChI=1S/C8H6F2N4OS/c9-8(10)16(15)7-3-1-6(2-4-7)14-5-11-12-13-14/h1-5,8H
InChIKeyIPFPHIYPZZMUAK-UHFFFAOYSA-N
MW244.23 g/mol
LogP0.99
Rot. Bonds3

About 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole

1-[4-(difluoromethylsulfinyl)phenyl]tetrazole (PubChem CID 21450967) has the molecular formula C8H6F2N4OS and a molecular weight of 244.23 g/mol. Its IUPAC name is 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[4-(difluoromethylsulfinyl)phenyl]tetrazole
PubChem CID21450967
Molecular FormulaC8H6F2N4OS
Molecular Weight244.23 g/mol
Exact Mass244.02
IUPAC Name1-[4-(difluoromethylsulfinyl)phenyl]tetrazole
SMILESO=S(c1ccc(-n2cnnn2)cc1)C(F)F
InChIInChI=1S/C8H6F2N4OS/c9-8(10)16(15)7-3-1-6(2-4-7)14-5-11-12-13-14/h1-5,8H
InChIKeyIPFPHIYPZZMUAK-UHFFFAOYSA-N
XLogP0.99
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.23
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole?
The IUPAC name of 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole (CID 21450967) is 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole.
What is the SMILES notation for 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole?
The canonical SMILES for 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole is O=S(c1ccc(-n2cnnn2)cc1)C(F)F.
What is the InChIKey of 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole?
The InChIKey is IPFPHIYPZZMUAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4OS/c9-8(10)16(15)7-3-1-6(2-4-7)14-5-11-12-13-14/h1-5,8H.
What are the key properties of 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole?
1-[4-(difluoromethylsulfinyl)phenyl]tetrazole has a molecular weight of 244.23 g/mol, XLogP of 0.99, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(difluoromethylsulfinyl)phenyl]tetrazole is sourced from PubChem (CID 21450967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).