4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one

C7H4ClFN4O — CID 135621797

IUPAC4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C7H4ClFN4O/c8-4-1-2-6(5(9)3-4)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)
InChIKeyWDUQLQBXWCPFCW-UHFFFAOYSA-N
MW214.59 g/mol
LogP0.75
Rot. Bonds1

About 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one

4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one (PubChem CID 135621797) has the molecular formula C7H4ClFN4O and a molecular weight of 214.59 g/mol. Its IUPAC name is 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one.

Molecular Properties

Compound Name4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one
PubChem CID135621797
Molecular FormulaC7H4ClFN4O
Molecular Weight214.59 g/mol
Exact Mass214.01
IUPAC Name4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one
SMILESO=c1[nH]nnn1-c1ccc(Cl)cc1F
InChIInChI=1S/C7H4ClFN4O/c8-4-1-2-6(5(9)3-4)13-7(14)10-11-12-13/h1-3H,(H,10,12,14)
InChIKeyWDUQLQBXWCPFCW-UHFFFAOYSA-N
XLogP0.75
TPSA63.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.59
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one?
The IUPAC name of 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one (CID 135621797) is 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one.
What is the SMILES notation for 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one?
The canonical SMILES for 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one is O=c1[nH]nnn1-c1ccc(Cl)cc1F.
What is the InChIKey of 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one?
The InChIKey is WDUQLQBXWCPFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClFN4O/c8-4-1-2-6(5(9)3-4)13-7(14)10-11-12-13/h1-3H,(H,10,12,14).
What are the key properties of 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one?
4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one has a molecular weight of 214.59 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-fluorophenyl)-1H-tetrazol-5-one is sourced from PubChem (CID 135621797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).