2-fluoro-6-phenyl-1-oxaspiro[2.5]octane

C13H15FO — CID 162410639

IUPAC2-fluoro-6-phenyl-1-oxaspiro[2.5]octane
SMILESFC1OC12CCC(c1ccccc1)CC2
InChIInChI=1S/C13H15FO/c14-12-13(15-12)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyJSACTPLAFIQIKJ-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.41
Rot. Bonds1

About 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane

2-fluoro-6-phenyl-1-oxaspiro[2.5]octane (PubChem CID 162410639) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane.

Molecular Properties

Compound Name2-fluoro-6-phenyl-1-oxaspiro[2.5]octane
PubChem CID162410639
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name2-fluoro-6-phenyl-1-oxaspiro[2.5]octane
SMILESFC1OC12CCC(c1ccccc1)CC2
InChIInChI=1S/C13H15FO/c14-12-13(15-12)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2
InChIKeyJSACTPLAFIQIKJ-UHFFFAOYSA-N
XLogP3.41
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2-Phenylethyl)oxirane
CID 135955
1-Methyl-4-phenylcyclohexan-1-ol
CID 11127082
6-Phenyl-1-oxaspiro[2.5]octane
CID 11052404
4-(4-Fluorophenyl)cyclohexan-1-ol
CID 3913467
(2S)-2-[(R)-Fluoro(phenyl)methyl]oxirane
CID 16068559
p-Methylphenylbutylene oxide
CID 135842
2-[(4-Phenylphenyl)methyl]oxirane
CID 146833
Oxirane, 2-(2-(1,1'-biphenyl-4-yl)ethyl)-
CID 148940
(3,4-Epoxybutyl)benzene, (R)-
CID 10796900
(3,4-Epoxybutyl)benzene, (S)-
CID 12003885
2-Benzyl-2-fluorooxirane
CID 15267174
(2S)-2-[(S)-Fluoro(phenyl)methyl]oxirane
CID 16068661

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane?
The IUPAC name of 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane (CID 162410639) is 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane.
What is the SMILES notation for 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane?
The canonical SMILES for 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane is FC1OC12CCC(c1ccccc1)CC2.
What is the InChIKey of 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane?
The InChIKey is JSACTPLAFIQIKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c14-12-13(15-12)8-6-11(7-9-13)10-4-2-1-3-5-10/h1-5,11-12H,6-9H2.
What are the key properties of 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane?
2-fluoro-6-phenyl-1-oxaspiro[2.5]octane has a molecular weight of 206.26 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-phenyl-1-oxaspiro[2.5]octane is sourced from PubChem (CID 162410639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).