1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole

C20H12Cl2F2N4O — CID 3473553

IUPAC1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
SMILESFc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C20H12Cl2F2N4O/c21-13-9-14(22)18(29-11-12-5-2-1-3-6-12)10-17(13)28-20(25-26-27-28)19-15(23)7-4-8-16(19)24/h1-10H,11H2
InChIKeyNRYGRSFDCITIQH-UHFFFAOYSA-N
MW433.25 g/mol
LogP5.49
Rot. Bonds5

About 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole

1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole (PubChem CID 3473553) has the molecular formula C20H12Cl2F2N4O and a molecular weight of 433.25 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole.

Molecular Properties

Compound Name1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
PubChem CID3473553
Molecular FormulaC20H12Cl2F2N4O
Molecular Weight433.25 g/mol
Exact Mass432.04
IUPAC Name1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole
SMILESFc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl
InChIInChI=1S/C20H12Cl2F2N4O/c21-13-9-14(22)18(29-11-12-5-2-1-3-6-12)10-17(13)28-20(25-26-27-28)19-15(23)7-4-8-16(19)24/h1-10H,11H2
InChIKeyNRYGRSFDCITIQH-UHFFFAOYSA-N
XLogP5.49
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.25
LogP ≤ 55.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The IUPAC name of 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole (CID 3473553) is 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole.
What is the SMILES notation for 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The canonical SMILES for 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole is Fc1cccc(F)c1-c1nnnn1-c1cc(OCc2ccccc2)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
The InChIKey is NRYGRSFDCITIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12Cl2F2N4O/c21-13-9-14(22)18(29-11-12-5-2-1-3-6-12)10-17(13)28-20(25-26-27-28)19-15(23)7-4-8-16(19)24/h1-10H,11H2.
What are the key properties of 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole?
1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole has a molecular weight of 433.25 g/mol, XLogP of 5.49, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-phenylmethoxyphenyl)-5-(2,6-difluorophenyl)tetrazole is sourced from PubChem (CID 3473553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).