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

C8H5BrFNO — CID 84693211

IUPAC7-bromo-3-(fluoromethyl)-1,2-benzoxazole
SMILESFCc1noc2c(Br)cccc12
InChIInChI=1S/C8H5BrFNO/c9-6-3-1-2-5-7(4-10)11-12-8(5)6/h1-3H,4H2
InChIKeyQPCVAGQCCXURDV-UHFFFAOYSA-N
MW230.04 g/mol
LogP3.06
Rot. Bonds1

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

7-bromo-3-(fluoromethyl)-1,2-benzoxazole (PubChem CID 84693211) has the molecular formula C8H5BrFNO and a molecular weight of 230.04 g/mol. Its IUPAC name is 7-bromo-3-(fluoromethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name7-bromo-3-(fluoromethyl)-1,2-benzoxazole
PubChem CID84693211
Molecular FormulaC8H5BrFNO
Molecular Weight230.04 g/mol
Exact Mass228.95
IUPAC Name7-bromo-3-(fluoromethyl)-1,2-benzoxazole
SMILESFCc1noc2c(Br)cccc12
InChIInChI=1S/C8H5BrFNO/c9-6-3-1-2-5-7(4-10)11-12-8(5)6/h1-3H,4H2
InChIKeyQPCVAGQCCXURDV-UHFFFAOYSA-N
XLogP3.06
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.04
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

7-bromo-3-(2-bromoethyl)-1,2-benzoxazole
CID 39097559
1-(7-bromo-1,2-benzoxazol-3-yl)ethanol
CID 84703063
7-bromo-3-(fluoromethyl)-1-methylindazole
CID 84703596
7-bromo-N-propan-2-yl-1,2-benzoxazol-3-amine
CID 84708451
7-bromo-N-cyclopropyl-1,2-benzoxazol-3-amine
CID 84707795
1-(7-bromo-1,2-benzoxazol-3-yl)-N-[(5,5-dimethyl-4H-1,2-oxazol-3-yl)oxysulfanyl]-N-methylmethanamine
CID 138519042
3-(7-bromo-1,2-benzoxazol-3-yl)-1H-pyridazin-6-one
CID 178166981
7-bromo-3-pyrrolidin-3-yl-1,2-benzoxazole
CID 84711773
3-(2-bromoethyl)benzo[g][1,2]benzoxazole
CID 39097725
3-(2-aminopropyl)-1,2-benzoxazol-7-ol
CID 84663914
3-(7-hydroxy-1,2-benzoxazol-3-yl)propanoic acid
CID 84674857
6-(7-bromo-1,2-benzoxazol-3-yl)-N-methylpyridazin-4-amine
CID 178167058

Frequently Asked Questions

What is the IUPAC name of 7-bromo-3-(fluoromethyl)-1,2-benzoxazole?
The IUPAC name of 7-bromo-3-(fluoromethyl)-1,2-benzoxazole (CID 84693211) is 7-bromo-3-(fluoromethyl)-1,2-benzoxazole.
What is the SMILES notation for 7-bromo-3-(fluoromethyl)-1,2-benzoxazole?
The canonical SMILES for 7-bromo-3-(fluoromethyl)-1,2-benzoxazole is FCc1noc2c(Br)cccc12.
What is the InChIKey of 7-bromo-3-(fluoromethyl)-1,2-benzoxazole?
The InChIKey is QPCVAGQCCXURDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrFNO/c9-6-3-1-2-5-7(4-10)11-12-8(5)6/h1-3H,4H2.
What are the key properties of 7-bromo-3-(fluoromethyl)-1,2-benzoxazole?
7-bromo-3-(fluoromethyl)-1,2-benzoxazole has a molecular weight of 230.04 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-3-(fluoromethyl)-1,2-benzoxazole is sourced from PubChem (CID 84693211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).