1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol

C19H16FNO — CID 70291705

IUPAC1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol
SMILESC=C(c1ccc(C#Cc2cccc(F)c2)cc1)N1CC(O)C1
InChIInChI=1S/C19H16FNO/c1-14(21-12-19(22)13-21)17-9-7-15(8-10-17)5-6-16-3-2-4-18(20)11-16/h2-4,7-11,19,22H,1,12-13H2
InChIKeyWDJIPCLNYQJJHI-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.87
Rot. Bonds2

About 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol

1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol (PubChem CID 70291705) has the molecular formula C19H16FNO and a molecular weight of 293.34 g/mol. Its IUPAC name is 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol.

Molecular Properties

Compound Name1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol
PubChem CID70291705
Molecular FormulaC19H16FNO
Molecular Weight293.34 g/mol
Exact Mass293.12
IUPAC Name1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol
SMILESC=C(c1ccc(C#Cc2cccc(F)c2)cc1)N1CC(O)C1
InChIInChI=1S/C19H16FNO/c1-14(21-12-19(22)13-21)17-9-7-15(8-10-17)5-6-16-3-2-4-18(20)11-16/h2-4,7-11,19,22H,1,12-13H2
InChIKeyWDJIPCLNYQJJHI-UHFFFAOYSA-N
XLogP2.87
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol?
The IUPAC name of 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol (CID 70291705) is 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol.
What is the SMILES notation for 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol?
The canonical SMILES for 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol is C=C(c1ccc(C#Cc2cccc(F)c2)cc1)N1CC(O)C1.
What is the InChIKey of 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol?
The InChIKey is WDJIPCLNYQJJHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO/c1-14(21-12-19(22)13-21)17-9-7-15(8-10-17)5-6-16-3-2-4-18(20)11-16/h2-4,7-11,19,22H,1,12-13H2.
What are the key properties of 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol?
1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol has a molecular weight of 293.34 g/mol, XLogP of 2.87, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[4-[2-(3-fluorophenyl)ethynyl]phenyl]ethenyl]azetidin-3-ol is sourced from PubChem (CID 70291705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).