4-(1-fluoroethyl)-1,2-benzoxazole

C9H8FNO — CID 84652030

IUPAC4-(1-fluoroethyl)-1,2-benzoxazole
SMILESCC(F)c1cccc2oncc12
InChIInChI=1S/C9H8FNO/c1-6(10)7-3-2-4-9-8(7)5-11-12-9/h2-6H,1H3
InChIKeyASIWYPVEVSUEKA-UHFFFAOYSA-N
MW165.17 g/mol
LogP2.86
Rot. Bonds1

About 4-(1-fluoroethyl)-1,2-benzoxazole

4-(1-fluoroethyl)-1,2-benzoxazole (PubChem CID 84652030) has the molecular formula C9H8FNO and a molecular weight of 165.17 g/mol. Its IUPAC name is 4-(1-fluoroethyl)-1,2-benzoxazole.

Molecular Properties

Compound Name4-(1-fluoroethyl)-1,2-benzoxazole
PubChem CID84652030
Molecular FormulaC9H8FNO
Molecular Weight165.17 g/mol
Exact Mass165.06
IUPAC Name4-(1-fluoroethyl)-1,2-benzoxazole
SMILESCC(F)c1cccc2oncc12
InChIInChI=1S/C9H8FNO/c1-6(10)7-3-2-4-9-8(7)5-11-12-9/h2-6H,1H3
InChIKeyASIWYPVEVSUEKA-UHFFFAOYSA-N
XLogP2.86
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.17
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(1-fluoroethyl)-1,2-benzoxazole?
The IUPAC name of 4-(1-fluoroethyl)-1,2-benzoxazole (CID 84652030) is 4-(1-fluoroethyl)-1,2-benzoxazole.
What is the SMILES notation for 4-(1-fluoroethyl)-1,2-benzoxazole?
The canonical SMILES for 4-(1-fluoroethyl)-1,2-benzoxazole is CC(F)c1cccc2oncc12.
What is the InChIKey of 4-(1-fluoroethyl)-1,2-benzoxazole?
The InChIKey is ASIWYPVEVSUEKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO/c1-6(10)7-3-2-4-9-8(7)5-11-12-9/h2-6H,1H3.
What are the key properties of 4-(1-fluoroethyl)-1,2-benzoxazole?
4-(1-fluoroethyl)-1,2-benzoxazole has a molecular weight of 165.17 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-fluoroethyl)-1,2-benzoxazole is sourced from PubChem (CID 84652030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).