7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole

C10H7BrF3NO — CID 89479111

IUPAC7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole
SMILESFC(F)(F)CCc1noc2c(Br)cccc12
InChIInChI=1S/C10H7BrF3NO/c11-7-3-1-2-6-8(15-16-9(6)7)4-5-10(12,13)14/h1-3H,4-5H2
InChIKeyDWBWSKUJEQZBKJ-UHFFFAOYSA-N
MW294.07 g/mol
LogP4.09
Rot. Bonds2

About 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole

7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole (PubChem CID 89479111) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole
PubChem CID89479111
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole
SMILESFC(F)(F)CCc1noc2c(Br)cccc12
InChIInChI=1S/C10H7BrF3NO/c11-7-3-1-2-6-8(15-16-9(6)7)4-5-10(12,13)14/h1-3H,4-5H2
InChIKeyDWBWSKUJEQZBKJ-UHFFFAOYSA-N
XLogP4.09
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole?
The IUPAC name of 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole (CID 89479111) is 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole?
The canonical SMILES for 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole is FC(F)(F)CCc1noc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole?
The InChIKey is DWBWSKUJEQZBKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-7-3-1-2-6-8(15-16-9(6)7)4-5-10(12,13)14/h1-3H,4-5H2.
What are the key properties of 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole?
7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole has a molecular weight of 294.07 g/mol, XLogP of 4.09, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(3,3,3-trifluoropropyl)-1,2-benzoxazole is sourced from PubChem (CID 89479111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).