2-[2-(2-fluoroethynyl)phenoxy]oxane

C13H13FO2 — CID 139891830

IUPAC2-[2-(2-fluoroethynyl)phenoxy]oxane
SMILESFC#Cc1ccccc1OC1CCCCO1
InChIInChI=1S/C13H13FO2/c14-9-8-11-5-1-2-6-12(11)16-13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7,10H2
InChIKeyPOQKJYQAKLQQPU-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.87
Rot. Bonds2

About 2-[2-(2-fluoroethynyl)phenoxy]oxane

2-[2-(2-fluoroethynyl)phenoxy]oxane (PubChem CID 139891830) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-[2-(2-fluoroethynyl)phenoxy]oxane.

Molecular Properties

Compound Name2-[2-(2-fluoroethynyl)phenoxy]oxane
PubChem CID139891830
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name2-[2-(2-fluoroethynyl)phenoxy]oxane
SMILESFC#Cc1ccccc1OC1CCCCO1
InChIInChI=1S/C13H13FO2/c14-9-8-11-5-1-2-6-12(11)16-13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7,10H2
InChIKeyPOQKJYQAKLQQPU-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-(2-ethynylphenoxy)oxane
CID 86326828
(2R)-2-[2-[(2R)-oxan-2-yl]oxyphenoxy]oxane
CID 6932695
(2S)-2-(2,3-diethynylphenoxy)oxane
CID 102172990
2-(2-ethenylphenoxy)oxecane
CID 139905565
4-fluoro-2-(oxan-2-yloxy)aniline
CID 155295982
2-(oxan-2-yloxy)-6-(trifluoromethyl)benzenethiol
CID 141392854
2-(2-ethenylphenoxy)oxolane
CID 18792586
2-(2-hexylphenoxy)oxane
CID 70186744
(2R)-2-(4-phenylphenoxy)oxane
CID 95989396
(2S)-2-phenoxyoxolane
CID 86339377
(2R)-2-phenoxyoxolane
CID 86339376
2-phenoxyoxolane
CID 11030163

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoroethynyl)phenoxy]oxane?
The IUPAC name of 2-[2-(2-fluoroethynyl)phenoxy]oxane (CID 139891830) is 2-[2-(2-fluoroethynyl)phenoxy]oxane.
What is the SMILES notation for 2-[2-(2-fluoroethynyl)phenoxy]oxane?
The canonical SMILES for 2-[2-(2-fluoroethynyl)phenoxy]oxane is FC#Cc1ccccc1OC1CCCCO1.
What is the InChIKey of 2-[2-(2-fluoroethynyl)phenoxy]oxane?
The InChIKey is POQKJYQAKLQQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-9-8-11-5-1-2-6-12(11)16-13-7-3-4-10-15-13/h1-2,5-6,13H,3-4,7,10H2.
What are the key properties of 2-[2-(2-fluoroethynyl)phenoxy]oxane?
2-[2-(2-fluoroethynyl)phenoxy]oxane has a molecular weight of 220.24 g/mol, XLogP of 2.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoroethynyl)phenoxy]oxane is sourced from PubChem (CID 139891830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).