2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol

C16H21FO3 — CID 15905279

IUPAC2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol
SMILESCC1(C)C2(OCCO2)C(C)(C)C1(O)c1cccc(F)c1
InChIInChI=1S/C16H21FO3/c1-13(2)15(18,11-6-5-7-12(17)10-11)14(3,4)16(13)19-8-9-20-16/h5-7,10,18H,8-9H2,1-4H3
InChIKeyHTPHOJCHGZTHTF-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.82
Rot. Bonds1

About 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol

2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol (PubChem CID 15905279) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol
PubChem CID15905279
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol
SMILESCC1(C)C2(OCCO2)C(C)(C)C1(O)c1cccc(F)c1
InChIInChI=1S/C16H21FO3/c1-13(2)15(18,11-6-5-7-12(17)10-11)14(3,4)16(13)19-8-9-20-16/h5-7,10,18H,8-9H2,1-4H3
InChIKeyHTPHOJCHGZTHTF-UHFFFAOYSA-N
XLogP2.82
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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[2-(3-fluorophenyl)-2-methylcyclopropyl]methanol
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2-(3-fluorophenyl)-2-methylcyclobutan-1-ol
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2-(3-fluorophenyl)-2,4-dimethyl-1,3-oxazolidine
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1-(3-fluorophenyl)-3,5-dimethylcyclohexan-1-ol
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(3E)-11-(3-fluorophenyl)-11-hydroxy-11a-methyl-8,9-dihydro-[1,4]oxazino[4,3-b][1,4,2]dioxazocine-2,5-dione
CID 140780838

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol?
The IUPAC name of 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol (CID 15905279) is 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol.
What is the SMILES notation for 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol?
The canonical SMILES for 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol is CC1(C)C2(OCCO2)C(C)(C)C1(O)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol?
The InChIKey is HTPHOJCHGZTHTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c1-13(2)15(18,11-6-5-7-12(17)10-11)14(3,4)16(13)19-8-9-20-16/h5-7,10,18H,8-9H2,1-4H3.
What are the key properties of 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol?
2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol has a molecular weight of 280.34 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-1,1,3,3-tetramethyl-5,8-dioxaspiro[3.4]octan-2-ol is sourced from PubChem (CID 15905279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).