1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole

C9H9FN4O — CID 122679441

IUPAC1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole
SMILESCOCc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C9H9FN4O/c1-15-5-7-2-3-8(4-9(7)10)14-6-11-12-13-14/h2-4,6H,5H2,1H3
InChIKeyUEGLNTBXXULVDM-UHFFFAOYSA-N
MW208.20 g/mol
LogP0.95
Rot. Bonds3

About 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole

1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole (PubChem CID 122679441) has the molecular formula C9H9FN4O and a molecular weight of 208.20 g/mol. Its IUPAC name is 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole.

Molecular Properties

Compound Name1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole
PubChem CID122679441
Molecular FormulaC9H9FN4O
Molecular Weight208.20 g/mol
Exact Mass208.08
IUPAC Name1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole
SMILESCOCc1ccc(-n2cnnn2)cc1F
InChIInChI=1S/C9H9FN4O/c1-15-5-7-2-3-8(4-9(7)10)14-6-11-12-13-14/h2-4,6H,5H2,1H3
InChIKeyUEGLNTBXXULVDM-UHFFFAOYSA-N
XLogP0.95
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.20
LogP ≤ 50.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole?
The IUPAC name of 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole (CID 122679441) is 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole.
What is the SMILES notation for 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole?
The canonical SMILES for 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole is COCc1ccc(-n2cnnn2)cc1F.
What is the InChIKey of 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole?
The InChIKey is UEGLNTBXXULVDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O/c1-15-5-7-2-3-8(4-9(7)10)14-6-11-12-13-14/h2-4,6H,5H2,1H3.
What are the key properties of 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole?
1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole has a molecular weight of 208.20 g/mol, XLogP of 0.95, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(methoxymethyl)phenyl]tetrazole is sourced from PubChem (CID 122679441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).