2-[2-(3-fluorophenyl)ethenyl]oxolane

C12H13FO — CID 134847394

IUPAC2-[2-(3-fluorophenyl)ethenyl]oxolane
SMILESFc1cccc(C=CC2CCCO2)c1
InChIInChI=1S/C12H13FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeySRYUSLRZJFJMNN-UHFFFAOYSA-N
MW192.23 g/mol
LogP3.02
Rot. Bonds2

About 2-[2-(3-fluorophenyl)ethenyl]oxolane

2-[2-(3-fluorophenyl)ethenyl]oxolane (PubChem CID 134847394) has the molecular formula C12H13FO and a molecular weight of 192.23 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethenyl]oxolane.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethenyl]oxolane
PubChem CID134847394
Molecular FormulaC12H13FO
Molecular Weight192.23 g/mol
Exact Mass192.10
IUPAC Name2-[2-(3-fluorophenyl)ethenyl]oxolane
SMILESFc1cccc(C=CC2CCCO2)c1
InChIInChI=1S/C12H13FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeySRYUSLRZJFJMNN-UHFFFAOYSA-N
XLogP3.02
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.23
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethenyl]oxolane?
The IUPAC name of 2-[2-(3-fluorophenyl)ethenyl]oxolane (CID 134847394) is 2-[2-(3-fluorophenyl)ethenyl]oxolane.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethenyl]oxolane?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethenyl]oxolane is Fc1cccc(C=CC2CCCO2)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethenyl]oxolane?
The InChIKey is SRYUSLRZJFJMNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,6-7,9,12H,2,5,8H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethenyl]oxolane?
2-[2-(3-fluorophenyl)ethenyl]oxolane has a molecular weight of 192.23 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethenyl]oxolane is sourced from PubChem (CID 134847394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).