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

C15H19FO2 — CID 150430231

IUPAC(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane
SMILESC[C@H]1OC2(CCCCC2)O[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FO2/c1-11-14(12-7-3-4-8-13(12)16)18-15(17-11)9-5-2-6-10-15/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHJPZOJRTASMVBS-BXUZGUMPSA-N
MW250.31 g/mol
LogP3.96
Rot. Bonds1

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

(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane (PubChem CID 150430231) has the molecular formula C15H19FO2 and a molecular weight of 250.31 g/mol. Its IUPAC name is (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane
PubChem CID150430231
Molecular FormulaC15H19FO2
Molecular Weight250.31 g/mol
Exact Mass250.14
IUPAC Name(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane
SMILESC[C@H]1OC2(CCCCC2)O[C@H]1c1ccccc1F
InChIInChI=1S/C15H19FO2/c1-11-14(12-7-3-4-8-13(12)16)18-15(17-11)9-5-2-6-10-15/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1
InChIKeyHJPZOJRTASMVBS-BXUZGUMPSA-N
XLogP3.96
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.31
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2-fluorophenyl)-1,4-dioxaspiro[4.5]decane-3-carboxylate
CID 123610795
2-(2-fluorophenyl)-3-methyl-1-oxa-4-azaspiro[5.6]dodecane
CID 115996216
[3-(2-fluorophenyl)-1,4-dioxaspiro[4.4]nonan-2-yl]methyl sulfamate
CID 90026272
(2R,3S)-2-(2-fluorophenyl)-3-methyl-1,4-dioxaspiro[4.4]nonane-3-carboxylic acid
CID 90026251
2-(methoxymethyl)-3-(2-methylphenyl)-1,4-dioxaspiro[4.5]decane
CID 123915019
[(4R,5R)-5-(2-fluorophenyl)-2,2-dimethyl-1,3-dioxolan-4-yl]methanol
CID 90027428
methyl 2-(2-fluorophenyl)-1-oxaspiro[5.5]undecane-3-carboxylate
CID 123806945
(3R)-3-(2-fluorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 706112
[3-(2-aminophenyl)-1,4-dioxaspiro[4.5]decan-2-yl]methanol
CID 123409924
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
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

Frequently Asked Questions

What is the IUPAC name of (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane (CID 150430231) is (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane is C[C@H]1OC2(CCCCC2)O[C@H]1c1ccccc1F.
What is the InChIKey of (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is HJPZOJRTASMVBS-BXUZGUMPSA-N. The full InChI is InChI=1S/C15H19FO2/c1-11-14(12-7-3-4-8-13(12)16)18-15(17-11)9-5-2-6-10-15/h3-4,7-8,11,14H,2,5-6,9-10H2,1H3/t11-,14-/m1/s1.
What are the key properties of (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane?
(2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 250.31 g/mol, XLogP of 3.96, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S)-3-(2-fluorophenyl)-2-methyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 150430231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).