5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole

C9H9Cl2FN4 — CID 19361814

IUPAC5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole
SMILESFCCN1NN=C(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C9H9Cl2FN4/c10-7-3-1-2-6(8(7)11)9-13-15-16(14-9)5-4-12/h1-3,15H,4-5H2,(H,13,14)
InChIKeyFPXZMCCVAGPFHK-UHFFFAOYSA-N
MW263.10 g/mol
LogP1.95
Rot. Bonds3

About 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole

5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole (PubChem CID 19361814) has the molecular formula C9H9Cl2FN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole.

Molecular Properties

Compound Name5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole
PubChem CID19361814
Molecular FormulaC9H9Cl2FN4
Molecular Weight263.10 g/mol
Exact Mass262.02
IUPAC Name5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole
SMILESFCCN1NN=C(c2cccc(Cl)c2Cl)N1
InChIInChI=1S/C9H9Cl2FN4/c10-7-3-1-2-6(8(7)11)9-13-15-16(14-9)5-4-12/h1-3,15H,4-5H2,(H,13,14)
InChIKeyFPXZMCCVAGPFHK-UHFFFAOYSA-N
XLogP1.95
TPSA39.66 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole?
The IUPAC name of 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole (CID 19361814) is 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole.
What is the SMILES notation for 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole?
The canonical SMILES for 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole is FCCN1NN=C(c2cccc(Cl)c2Cl)N1.
What is the InChIKey of 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole?
The InChIKey is FPXZMCCVAGPFHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9Cl2FN4/c10-7-3-1-2-6(8(7)11)9-13-15-16(14-9)5-4-12/h1-3,15H,4-5H2,(H,13,14).
What are the key properties of 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole?
5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole has a molecular weight of 263.10 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dichlorophenyl)-2-(2-fluoroethyl)-1,3-dihydrotetrazole is sourced from PubChem (CID 19361814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).