2-[2-(4-fluorophenyl)ethynyl]oxirane

C10H7FO — CID 164665157

IUPAC2-[2-(4-fluorophenyl)ethynyl]oxirane
SMILESFc1ccc(C#CC2CO2)cc1
InChIInChI=1S/C10H7FO/c11-9-4-1-8(2-5-9)3-6-10-7-12-10/h1-2,4-5,10H,7H2
InChIKeyHLUIERUFTZBBIN-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.58
Rot. Bonds

About 2-[2-(4-fluorophenyl)ethynyl]oxirane

2-[2-(4-fluorophenyl)ethynyl]oxirane (PubChem CID 164665157) has the molecular formula C10H7FO and a molecular weight of 162.16 g/mol. Its IUPAC name is 2-[2-(4-fluorophenyl)ethynyl]oxirane.

Molecular Properties

Compound Name2-[2-(4-fluorophenyl)ethynyl]oxirane
PubChem CID164665157
Molecular FormulaC10H7FO
Molecular Weight162.16 g/mol
Exact Mass162.05
IUPAC Name2-[2-(4-fluorophenyl)ethynyl]oxirane
SMILESFc1ccc(C#CC2CO2)cc1
InChIInChI=1S/C10H7FO/c11-9-4-1-8(2-5-9)3-6-10-7-12-10/h1-2,4-5,10H,7H2
InChIKeyHLUIERUFTZBBIN-UHFFFAOYSA-N
XLogP1.58
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(3,4-Difluorophenyl)hex-1-yn-3-ol
CID 156015115
(3R)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156018316
(3S)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156021925
3-Phenylpropynoyl fluoride
CID 5325490
1-(But-3-en-1-yn-1-yl)-4-fluorobenzene
CID 10975626
3-Butyn-2-ol, 1,1,1-trifluoro-4-phenyl-
CID 11412978
4-(4-Fluorophenyl)but-3-yn-2-one
CID 12045293
4-(4-Fluorophenyl)but-3-YN-2-OL
CID 23006384
2-[(3-Fluorophenyl)methyl]oxirane
CID 12407138
2-[(4-Fluorophenyl)methyl]oxirane
CID 12407139
1-Fluoro-4-phenylbut-3-yn-2-one
CID 21636837
1-(2,4-Difluorophenyl)-3-hydroxy-4-penten-1-yne
CID 50937009

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-fluorophenyl)ethynyl]oxirane?
The IUPAC name of 2-[2-(4-fluorophenyl)ethynyl]oxirane (CID 164665157) is 2-[2-(4-fluorophenyl)ethynyl]oxirane.
What is the SMILES notation for 2-[2-(4-fluorophenyl)ethynyl]oxirane?
The canonical SMILES for 2-[2-(4-fluorophenyl)ethynyl]oxirane is Fc1ccc(C#CC2CO2)cc1.
What is the InChIKey of 2-[2-(4-fluorophenyl)ethynyl]oxirane?
The InChIKey is HLUIERUFTZBBIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7FO/c11-9-4-1-8(2-5-9)3-6-10-7-12-10/h1-2,4-5,10H,7H2.
What are the key properties of 2-[2-(4-fluorophenyl)ethynyl]oxirane?
2-[2-(4-fluorophenyl)ethynyl]oxirane has a molecular weight of 162.16 g/mol, XLogP of 1.58, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-fluorophenyl)ethynyl]oxirane is sourced from PubChem (CID 164665157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).