methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate

C16H19FO4 — CID 123610795

IUPACmethyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1OC2(CCCCC2)OC1c1ccccc1F
InChIInChI=1S/C16H19FO4/c1-19-15(18)14-13(11-7-3-4-8-12(11)17)20-16(21-14)9-5-2-6-10-16/h3-4,7-8,13-14H,2,5-6,9-10H2,1H3
InChIKeySHLVTZUCOHMDFB-UHFFFAOYSA-N
MW294.32 g/mol
LogP3.12
Rot. Bonds2

About methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate

methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate (PubChem CID 123610795) has the molecular formula C16H19FO4 and a molecular weight of 294.32 g/mol. Its IUPAC name is methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
PubChem CID123610795
Molecular FormulaC16H19FO4
Molecular Weight294.32 g/mol
Exact Mass294.13
IUPAC Namemethyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
SMILESCOC(=O)C1OC2(CCCCC2)OC1c1ccccc1F
InChIInChI=1S/C16H19FO4/c1-19-15(18)14-13(11-7-3-4-8-12(11)17)20-16(21-14)9-5-2-6-10-16/h3-4,7-8,13-14H,2,5-6,9-10H2,1H3
InChIKeySHLVTZUCOHMDFB-UHFFFAOYSA-N
XLogP3.12
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.32
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl (2S,3R)-2-(2-fluorophenyl)-1,4-dioxaspiro[4.4]non-7-ene-3-carboxylate
CID 149077637
methyl (2R,3S)-2-(2-chlorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 118151803
methyl (2S,3R)-2-(2-nitrophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 118151823
(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane
CID 150430231
methyl 2-(2-fluorophenyl)-1-oxaspiro[5.5]undecane-3-carboxylate
CID 123806945
(2R,3S)-2-(2-fluorophenyl)-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 90026251
methyl (3R)-2-[(2-chlorophenyl)methyl]-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 163741003
[3-(2-fluorophenyl)-1,4-dioxaspiro[4.4]nonan-2-yl]methyl sulfamate
CID 90026272
methyl (4R)-5-(2-chlorophenyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 175424082
methyl 2-(2-fluorophenyl)cyclohexane-1-carboxylate
CID 82243393
2-(2-nitrophenyl)-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 151291295
methyl (1R,7R)-1-methoxy-7-phenylbicyclo[5.1.0]octane-8-carboxylate
CID 134907445

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate?
The IUPAC name of methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate (CID 123610795) is methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate.
What is the SMILES notation for methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate?
The canonical SMILES for methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate is COC(=O)C1OC2(CCCCC2)OC1c1ccccc1F.
What is the InChIKey of methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate?
The InChIKey is SHLVTZUCOHMDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FO4/c1-19-15(18)14-13(11-7-3-4-8-12(11)17)20-16(21-14)9-5-2-6-10-16/h3-4,7-8,13-14H,2,5-6,9-10H2,1H3.
What are the key properties of methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate?
methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate has a molecular weight of 294.32 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate is sourced from PubChem (CID 123610795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).