5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole

C9H7F3N4O — CID 2990566

IUPAC5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(OCc2nn[nH]n2)c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-2-1-3-7(4-6)17-5-8-13-15-16-14-8/h1-4H,5H2,(H,13,14,15,16)
InChIKeyHQRAENSJWZABTI-UHFFFAOYSA-N
MW244.18 g/mol
LogP1.80
Rot. Bonds3

About 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole

5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole (PubChem CID 2990566) has the molecular formula C9H7F3N4O and a molecular weight of 244.18 g/mol. Its IUPAC name is 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole.

Molecular Properties

Compound Name5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole
PubChem CID2990566
Molecular FormulaC9H7F3N4O
Molecular Weight244.18 g/mol
Exact Mass244.06
IUPAC Name5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole
SMILESFC(F)(F)c1cccc(OCc2nn[nH]n2)c1
InChIInChI=1S/C9H7F3N4O/c10-9(11,12)6-2-1-3-7(4-6)17-5-8-13-15-16-14-8/h1-4H,5H2,(H,13,14,15,16)
InChIKeyHQRAENSJWZABTI-UHFFFAOYSA-N
XLogP1.80
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.18
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole?
The IUPAC name of 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole (CID 2990566) is 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole.
What is the SMILES notation for 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole?
The canonical SMILES for 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole is FC(F)(F)c1cccc(OCc2nn[nH]n2)c1.
What is the InChIKey of 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole?
The InChIKey is HQRAENSJWZABTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F3N4O/c10-9(11,12)6-2-1-3-7(4-6)17-5-8-13-15-16-14-8/h1-4H,5H2,(H,13,14,15,16).
What are the key properties of 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole?
5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole has a molecular weight of 244.18 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-(trifluoromethyl)phenoxy]methyl]-2H-tetrazole is sourced from PubChem (CID 2990566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).