1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one

C10H9Cl2FN4O2 — CID 14774813

IUPAC1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one
SMILESCOc1cc(-n2nnn(CCF)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FN4O2/c1-19-9-5-8(6(11)4-7(9)12)17-10(18)16(3-2-13)14-15-17/h4-5H,2-3H2,1H3
InChIKeyNJOOBKXIOVXYPU-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.71
Rot. Bonds4

About 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one

1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one (PubChem CID 14774813) has the molecular formula C10H9Cl2FN4O2 and a molecular weight of 307.11 g/mol. Its IUPAC name is 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one.

Molecular Properties

Compound Name1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one
PubChem CID14774813
Molecular FormulaC10H9Cl2FN4O2
Molecular Weight307.11 g/mol
Exact Mass306.01
IUPAC Name1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one
SMILESCOc1cc(-n2nnn(CCF)c2=O)c(Cl)cc1Cl
InChIInChI=1S/C10H9Cl2FN4O2/c1-19-9-5-8(6(11)4-7(9)12)17-10(18)16(3-2-13)14-15-17/h4-5H,2-3H2,1H3
InChIKeyNJOOBKXIOVXYPU-UHFFFAOYSA-N
XLogP1.71
TPSA61.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dichloro-5-methoxyphenyl)-4-propyltetrazol-5-one
CID 3437914
1-(2,4-dichloro-5-methoxyphenyl)-4-prop-2-enyltetrazol-5-one
CID 14774807
1-(2-chloro-5-methoxy-4-phenylphenyl)-4-propyltetrazol-5-one
CID 14774825
1-[2,4-dichloro-5-(methoxymethoxy)phenyl]-4-ethyltetrazol-5-one
CID 19882823
1-(5-but-3-yn-2-yloxy-2,4-dichlorophenyl)-4-propyltetrazol-5-one
CID 171984894
2-(2,4-dichloro-5-methoxyphenyl)-5-(trifluoromethyl)pyridazin-3-one
CID 18345652
1-(4-chloro-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
CID 14551615
1-(2,4-dichloro-5-methoxyphenyl)pyrrole
CID 3520882
3-amino-2-(2,4-dichloro-5-methoxyphenyl)-5H-pyrazolo[4,3-c]quinolin-4-one
CID 135599898
1-(2-chlorophenyl)-4-[[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]tetrazol-5-one
CID 71835264
1-(4-bromo-5-but-3-yn-2-yloxy-2-fluorophenyl)-4-(3-fluoropropyl)tetrazol-5-one
CID 134121646
2-[3-(4-chloro-2,5-dimethoxyphenyl)triazol-4-yl]ethanamine
CID 82197289

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one?
The IUPAC name of 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one (CID 14774813) is 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one.
What is the SMILES notation for 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one?
The canonical SMILES for 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one is COc1cc(-n2nnn(CCF)c2=O)c(Cl)cc1Cl.
What is the InChIKey of 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one?
The InChIKey is NJOOBKXIOVXYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl2FN4O2/c1-19-9-5-8(6(11)4-7(9)12)17-10(18)16(3-2-13)14-15-17/h4-5H,2-3H2,1H3.
What are the key properties of 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one?
1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one has a molecular weight of 307.11 g/mol, XLogP of 1.71, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-dichloro-5-methoxyphenyl)-4-(2-fluoroethyl)tetrazol-5-one is sourced from PubChem (CID 14774813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).