1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole

C9H7F3N4O — CID 23117939

IUPAC1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCOc1cccc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4O/c1-17-7-4-2-3-6(5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyHFCPWISHFCNSKV-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.69
Rot. Bonds2

About 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole

1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole (PubChem CID 23117939) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole
PubChem CID23117939
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole
SMILESCOc1cccc(-n2nnnc2C(F)(F)F)c1
InChIInChI=1S/C9H7F3N4O/c1-17-7-4-2-3-6(5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3
InChIKeyHFCPWISHFCNSKV-UHFFFAOYSA-N
XLogP1.69
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole (CID 23117939) is 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole is COc1cccc(-n2nnnc2C(F)(F)F)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
The InChIKey is HFCPWISHFCNSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c1-17-7-4-2-3-6(5-7)16-8(9(10,11)12)13-14-15-16/h2-5H,1H3.
What are the key properties of 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole?
1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole has a molecular weight of 244.18 g/mol, XLogP of 1.69, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 23117939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).