8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane

C16H21FO3 — CID 58923565

IUPAC8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(COCC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H21FO3/c17-15-3-1-2-14(10-15)12-18-11-13-4-6-16(7-5-13)19-8-9-20-16/h1-3,10,13H,4-9,11-12H2
InChIKeyFROYOZZCMVBUFR-UHFFFAOYSA-N
MW280.34 g/mol
LogP3.28
Rot. Bonds4

About 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane

8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane (PubChem CID 58923565) has the molecular formula C16H21FO3 and a molecular weight of 280.34 g/mol. Its IUPAC name is 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
PubChem CID58923565
Molecular FormulaC16H21FO3
Molecular Weight280.34 g/mol
Exact Mass280.15
IUPAC Name8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
SMILESFc1cccc(COCC2CCC3(CC2)OCCO3)c1
InChIInChI=1S/C16H21FO3/c17-15-3-1-2-14(10-15)12-18-11-13-4-6-16(7-5-13)19-8-9-20-16/h1-3,10,13H,4-9,11-12H2
InChIKeyFROYOZZCMVBUFR-UHFFFAOYSA-N
XLogP3.28
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane (CID 58923565) is 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane is Fc1cccc(COCC2CCC3(CC2)OCCO3)c1.
What is the InChIKey of 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane?
The InChIKey is FROYOZZCMVBUFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FO3/c17-15-3-1-2-14(10-15)12-18-11-13-4-6-16(7-5-13)19-8-9-20-16/h1-3,10,13H,4-9,11-12H2.
What are the key properties of 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane?
8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane has a molecular weight of 280.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 58923565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).