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

C12H11FO — CID 162417779

IUPAC2-[2-(3-fluorophenyl)ethynyl]oxolane
SMILESFc1cccc(C#CC2CCCO2)c1
InChIInChI=1S/C12H11FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12H,2,5,8H2
InChIKeyUUKVNPBIPXSMPC-UHFFFAOYSA-N
MW190.22 g/mol
LogP2.36
Rot. Bonds

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

2-[2-(3-fluorophenyl)ethynyl]oxolane (PubChem CID 162417779) has the molecular formula C12H11FO and a molecular weight of 190.22 g/mol. Its IUPAC name is 2-[2-(3-fluorophenyl)ethynyl]oxolane.

Molecular Properties

Compound Name2-[2-(3-fluorophenyl)ethynyl]oxolane
PubChem CID162417779
Molecular FormulaC12H11FO
Molecular Weight190.22 g/mol
Exact Mass190.08
IUPAC Name2-[2-(3-fluorophenyl)ethynyl]oxolane
SMILESFc1cccc(C#CC2CCCO2)c1
InChIInChI=1S/C12H11FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12H,2,5,8H2
InChIKeyUUKVNPBIPXSMPC-UHFFFAOYSA-N
XLogP2.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.22
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Difluorophenyl)hept-1-yn-3-ol
CID 146003105
1-(3,4-Difluorophenyl)hex-1-yn-3-ol
CID 156015115
(3S)-1-(3,4-difluorophenyl)hept-1-yn-3-ol
CID 156016395
(3R)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156018316
(3R)-1-(3,4-difluorophenyl)hept-1-yn-3-ol
CID 156021361
(3S)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156021925
4-(4-Fluorophenyl)but-3-YN-2-OL
CID 23006384
2-[(E)-2-(4-fluorophenyl)ethenyl]oxolane
CID 102418770
1-Fluoro-4-(3-prop-2-enoxyprop-1-ynyl)benzene
CID 86065255
2-[2-(2-Fluorophenyl)ethenyl]oxolane
CID 85860955
2-[2-(3-Fluorophenyl)ethenyl]oxolane
CID 134847394
2-(2-Phenylethyl)tetrahydrofuran
CID 269451

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]oxolane?
The IUPAC name of 2-[2-(3-fluorophenyl)ethynyl]oxolane (CID 162417779) is 2-[2-(3-fluorophenyl)ethynyl]oxolane.
What is the SMILES notation for 2-[2-(3-fluorophenyl)ethynyl]oxolane?
The canonical SMILES for 2-[2-(3-fluorophenyl)ethynyl]oxolane is Fc1cccc(C#CC2CCCO2)c1.
What is the InChIKey of 2-[2-(3-fluorophenyl)ethynyl]oxolane?
The InChIKey is UUKVNPBIPXSMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO/c13-11-4-1-3-10(9-11)6-7-12-5-2-8-14-12/h1,3-4,9,12H,2,5,8H2.
What are the key properties of 2-[2-(3-fluorophenyl)ethynyl]oxolane?
2-[2-(3-fluorophenyl)ethynyl]oxolane has a molecular weight of 190.22 g/mol, XLogP of 2.36, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-fluorophenyl)ethynyl]oxolane is sourced from PubChem (CID 162417779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).