6-fluoro-1,2-benzoxazole

C7H4FNO — CID 19372844

IUPAC6-fluoro-1,2-benzoxazole
SMILESFc1ccc2cnoc2c1
InChIInChI=1S/C7H4FNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChIKeyHPEKZFNIPJLIBV-UHFFFAOYSA-N
MW137.11 g/mol
LogP1.97
Rot. Bonds

About 6-fluoro-1,2-benzoxazole

6-fluoro-1,2-benzoxazole (PubChem CID 19372844) has the molecular formula C7H4FNO and a molecular weight of 137.11 g/mol. Its IUPAC name is 6-fluoro-1,2-benzoxazole.

Molecular Properties

Compound Name6-fluoro-1,2-benzoxazole
PubChem CID19372844
Molecular FormulaC7H4FNO
Molecular Weight137.11 g/mol
Exact Mass137.03
IUPAC Name6-fluoro-1,2-benzoxazole
SMILESFc1ccc2cnoc2c1
InChIInChI=1S/C7H4FNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H
InChIKeyHPEKZFNIPJLIBV-UHFFFAOYSA-N
XLogP1.97
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500137.11
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,2-Benzisoxazole
CID 71073
Isoxazole, 5-phenyl-
CID 136800
3-Methyl-1,2-benzoxazole
CID 4068104
1,2-Benzoxazol-3-amine
CID 2779749
5-Nitrobenzisoxazole
CID 142385
1,2-Benzoxazole-5-sulfonyl chloride
CID 15158613
5-(4-Fluorophenyl)isoxazole
CID 2774719
5-Bromo-1,2-benzoxazole
CID 12003029
3-Ethyl-1,2-benzisoxazole
CID 365023
3-Chloro-1,2-benzoxazole
CID 2779780
1,2-Benzisoxazole, 3-(bromomethyl)-
CID 3499189
1,2-Benzoxazol-7-ol
CID 21469959

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-1,2-benzoxazole?
The IUPAC name of 6-fluoro-1,2-benzoxazole (CID 19372844) is 6-fluoro-1,2-benzoxazole.
What is the SMILES notation for 6-fluoro-1,2-benzoxazole?
The canonical SMILES for 6-fluoro-1,2-benzoxazole is Fc1ccc2cnoc2c1.
What is the InChIKey of 6-fluoro-1,2-benzoxazole?
The InChIKey is HPEKZFNIPJLIBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4FNO/c8-6-2-1-5-4-9-10-7(5)3-6/h1-4H.
What are the key properties of 6-fluoro-1,2-benzoxazole?
6-fluoro-1,2-benzoxazole has a molecular weight of 137.11 g/mol, XLogP of 1.97, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1,2-benzoxazole is sourced from PubChem (CID 19372844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).