3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole

C11H9FN2O — CID 174462824

IUPAC3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole
SMILESC/C(F)=C/c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H9FN2O/c1-8(12)6-9-2-4-10(5-3-9)11-13-7-15-14-11/h2-7H,1H3/b8-6-
InChIKeyNVVZCFHXWXHEFD-VURMDHGXSA-N
MW204.20 g/mol
LogP3.07
Rot. Bonds2

About 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole

3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole (PubChem CID 174462824) has the molecular formula C11H9FN2O and a molecular weight of 204.20 g/mol. Its IUPAC name is 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole
PubChem CID174462824
Molecular FormulaC11H9FN2O
Molecular Weight204.20 g/mol
Exact Mass204.07
IUPAC Name3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole
SMILESC/C(F)=C/c1ccc(-c2ncon2)cc1
InChIInChI=1S/C11H9FN2O/c1-8(12)6-9-2-4-10(5-3-9)11-13-7-15-14-11/h2-7H,1H3/b8-6-
InChIKeyNVVZCFHXWXHEFD-VURMDHGXSA-N
XLogP3.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole (CID 174462824) is 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole is C/C(F)=C/c1ccc(-c2ncon2)cc1.
What is the InChIKey of 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole?
The InChIKey is NVVZCFHXWXHEFD-VURMDHGXSA-N. The full InChI is InChI=1S/C11H9FN2O/c1-8(12)6-9-2-4-10(5-3-9)11-13-7-15-14-11/h2-7H,1H3/b8-6-.
What are the key properties of 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole?
3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole has a molecular weight of 204.20 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[(Z)-2-fluoroprop-1-enyl]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 174462824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).