1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one

C15H12ClFN4O2 — CID 41402523

IUPAC1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one
SMILESO=c1n(CCOc2ccc(F)cc2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H12ClFN4O2/c16-13-3-1-2-4-14(13)21-15(22)20(18-19-21)9-10-23-12-7-5-11(17)6-8-12/h1-8H,9-10H2
InChIKeyFDGAQVCFLRPINQ-UHFFFAOYSA-N
MW334.74 g/mol
LogP2.30
Rot. Bonds5

About 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one

1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one (PubChem CID 41402523) has the molecular formula C15H12ClFN4O2 and a molecular weight of 334.74 g/mol. Its IUPAC name is 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one.

Molecular Properties

Compound Name1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one
PubChem CID41402523
Molecular FormulaC15H12ClFN4O2
Molecular Weight334.74 g/mol
Exact Mass334.06
IUPAC Name1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one
SMILESO=c1n(CCOc2ccc(F)cc2)nnn1-c1ccccc1Cl
InChIInChI=1S/C15H12ClFN4O2/c16-13-3-1-2-4-14(13)21-15(22)20(18-19-21)9-10-23-12-7-5-11(17)6-8-12/h1-8H,9-10H2
InChIKeyFDGAQVCFLRPINQ-UHFFFAOYSA-N
XLogP2.30
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.74
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one?
The IUPAC name of 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one (CID 41402523) is 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one.
What is the SMILES notation for 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one?
The canonical SMILES for 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one is O=c1n(CCOc2ccc(F)cc2)nnn1-c1ccccc1Cl.
What is the InChIKey of 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one?
The InChIKey is FDGAQVCFLRPINQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFN4O2/c16-13-3-1-2-4-14(13)21-15(22)20(18-19-21)9-10-23-12-7-5-11(17)6-8-12/h1-8H,9-10H2.
What are the key properties of 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one?
1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one has a molecular weight of 334.74 g/mol, XLogP of 2.30, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)-4-[2-(4-fluorophenoxy)ethyl]tetrazol-5-one is sourced from PubChem (CID 41402523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).