1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole

C10H7BrF4N4O — CID 18787104

IUPAC1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole
SMILESCC(F)Oc1ccc(-n2nnnc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF4N4O/c1-5(12)20-8-3-2-6(4-7(8)11)19-9(10(13,14)15)16-17-18-19/h2-5H,1H3
InChIKeyCIQGGHWWIYKDRT-UHFFFAOYSA-N
MW355.09 g/mol
LogP3.14
Rot. Bonds3

About 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole

1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole (PubChem CID 18787104) has the molecular formula C10H7BrF4N4O and a molecular weight of 355.09 g/mol. Its IUPAC name is 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole.

Molecular Properties

Compound Name1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole
PubChem CID18787104
Molecular FormulaC10H7BrF4N4O
Molecular Weight355.09 g/mol
Exact Mass353.97
IUPAC Name1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole
SMILESCC(F)Oc1ccc(-n2nnnc2C(F)(F)F)cc1Br
InChIInChI=1S/C10H7BrF4N4O/c1-5(12)20-8-3-2-6(4-7(8)11)19-9(10(13,14)15)16-17-18-19/h2-5H,1H3
InChIKeyCIQGGHWWIYKDRT-UHFFFAOYSA-N
XLogP3.14
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.09
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole?
The IUPAC name of 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole (CID 18787104) is 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole.
What is the SMILES notation for 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole?
The canonical SMILES for 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole is CC(F)Oc1ccc(-n2nnnc2C(F)(F)F)cc1Br.
What is the InChIKey of 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole?
The InChIKey is CIQGGHWWIYKDRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF4N4O/c1-5(12)20-8-3-2-6(4-7(8)11)19-9(10(13,14)15)16-17-18-19/h2-5H,1H3.
What are the key properties of 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole?
1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole has a molecular weight of 355.09 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-bromo-4-(1-fluoroethoxy)phenyl]-5-(trifluoromethyl)tetrazole is sourced from PubChem (CID 18787104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).