1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole

C10H10ClFN4O — CID 75439501

IUPAC1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole
SMILESCc1nnnn1CCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN4O/c1-7-13-14-15-16(7)4-5-17-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyOHDZUXGYBBJDNJ-UHFFFAOYSA-N
MW256.67 g/mol
LogP1.85
Rot. Bonds4

About 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole

1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole (PubChem CID 75439501) has the molecular formula C10H10ClFN4O and a molecular weight of 256.67 g/mol. Its IUPAC name is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole.

Molecular Properties

Compound Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole
PubChem CID75439501
Molecular FormulaC10H10ClFN4O
Molecular Weight256.67 g/mol
Exact Mass256.05
IUPAC Name1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole
SMILESCc1nnnn1CCOc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN4O/c1-7-13-14-15-16(7)4-5-17-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3
InChIKeyOHDZUXGYBBJDNJ-UHFFFAOYSA-N
XLogP1.85
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.67
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole?
The IUPAC name of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole (CID 75439501) is 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole.
What is the SMILES notation for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole?
The canonical SMILES for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole is Cc1nnnn1CCOc1ccc(F)cc1Cl.
What is the InChIKey of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole?
The InChIKey is OHDZUXGYBBJDNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN4O/c1-7-13-14-15-16(7)4-5-17-10-3-2-8(12)6-9(10)11/h2-3,6H,4-5H2,1H3.
What are the key properties of 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole?
1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole has a molecular weight of 256.67 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chloro-4-fluorophenoxy)ethyl]-5-methyltetrazole is sourced from PubChem (CID 75439501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).