7-bromo-5-(trifluoromethyl)-1-benzofuran

C9H4BrF3O — CID 22144871

IUPAC7-bromo-5-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc(Br)c2occc2c1
InChIInChI=1S/C9H4BrF3O/c10-7-4-6(9(11,12)13)3-5-1-2-14-8(5)7/h1-4H
InChIKeyNSZGPNKNKQDNPD-UHFFFAOYSA-N
MW265.03 g/mol
LogP4.21
Rot. Bonds

About 7-bromo-5-(trifluoromethyl)-1-benzofuran

7-bromo-5-(trifluoromethyl)-1-benzofuran (PubChem CID 22144871) has the molecular formula C9H4BrF3O and a molecular weight of 265.03 g/mol. Its IUPAC name is 7-bromo-5-(trifluoromethyl)-1-benzofuran.

Molecular Properties

Compound Name7-bromo-5-(trifluoromethyl)-1-benzofuran
PubChem CID22144871
Molecular FormulaC9H4BrF3O
Molecular Weight265.03 g/mol
Exact Mass263.94
IUPAC Name7-bromo-5-(trifluoromethyl)-1-benzofuran
SMILESFC(F)(F)c1cc(Br)c2occc2c1
InChIInChI=1S/C9H4BrF3O/c10-7-4-6(9(11,12)13)3-5-1-2-14-8(5)7/h1-4H
InChIKeyNSZGPNKNKQDNPD-UHFFFAOYSA-N
XLogP4.21
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.03
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-5-(trifluoromethyl)-1-benzofuran?
The IUPAC name of 7-bromo-5-(trifluoromethyl)-1-benzofuran (CID 22144871) is 7-bromo-5-(trifluoromethyl)-1-benzofuran.
What is the SMILES notation for 7-bromo-5-(trifluoromethyl)-1-benzofuran?
The canonical SMILES for 7-bromo-5-(trifluoromethyl)-1-benzofuran is FC(F)(F)c1cc(Br)c2occc2c1.
What is the InChIKey of 7-bromo-5-(trifluoromethyl)-1-benzofuran?
The InChIKey is NSZGPNKNKQDNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3O/c10-7-4-6(9(11,12)13)3-5-1-2-14-8(5)7/h1-4H.
What are the key properties of 7-bromo-5-(trifluoromethyl)-1-benzofuran?
7-bromo-5-(trifluoromethyl)-1-benzofuran has a molecular weight of 265.03 g/mol, XLogP of 4.21, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-5-(trifluoromethyl)-1-benzofuran is sourced from PubChem (CID 22144871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).