2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene

C15H17FO2 — CID 134959442

IUPAC2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC1(c2cccc(F)c2)C=CC2(CCCCO2)O1
InChIInChI=1S/C15H17FO2/c1-14(12-5-4-6-13(16)11-12)8-9-15(18-14)7-2-3-10-17-15/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyQEISMUMGIULHGU-UHFFFAOYSA-N
MW248.30 g/mol
LogP3.52
Rot. Bonds1

About 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene

2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene (PubChem CID 134959442) has the molecular formula C15H17FO2 and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene
PubChem CID134959442
Molecular FormulaC15H17FO2
Molecular Weight248.30 g/mol
Exact Mass248.12
IUPAC Name2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene
SMILESCC1(c2cccc(F)c2)C=CC2(CCCCO2)O1
InChIInChI=1S/C15H17FO2/c1-14(12-5-4-6-13(16)11-12)8-9-15(18-14)7-2-3-10-17-15/h4-6,8-9,11H,2-3,7,10H2,1H3
InChIKeyQEISMUMGIULHGU-UHFFFAOYSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(difluoromethyl)cyclohexyl]-3-fluorobenzene
CID 84726019
1-fluoro-3-(1-methylcyclopropyl)benzene
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2-(3-fluorophenyl)-2-methyl-1,3-oxazolidine;hydrochloride
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CID 15905279
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CID 53321082
(2E,4E)-5-[1-(3-fluorophenyl)cyclohexyl]hexa-2,4-dien-2-ol
CID 143134266
(2,3-difluorophenyl)-(2-methyloxan-2-yl)methanone
CID 80684654
2-(ethylamino)-2-(3-fluorophenyl)cyclohexan-1-one
CID 137332183
ethane;1-(3-fluorophenyl)cyclopropane-1-carbaldehyde
CID 177135827
2-(3-fluorophenyl)-2-methyloxolan-3-amine
CID 105449016
2-[1-(3-fluorophenyl)cyclopentyl]propanoic acid
CID 68973973

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene?
The IUPAC name of 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene (CID 134959442) is 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene.
What is the SMILES notation for 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene?
The canonical SMILES for 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene is CC1(c2cccc(F)c2)C=CC2(CCCCO2)O1.
What is the InChIKey of 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene?
The InChIKey is QEISMUMGIULHGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO2/c1-14(12-5-4-6-13(16)11-12)8-9-15(18-14)7-2-3-10-17-15/h4-6,8-9,11H,2-3,7,10H2,1H3.
What are the key properties of 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene?
2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene has a molecular weight of 248.30 g/mol, XLogP of 3.52, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-methyl-1,10-dioxaspiro[4.5]dec-3-ene is sourced from PubChem (CID 134959442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).