2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine

C14H18FNO2 — CID 67498612

IUPAC2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine
SMILESCc1cccnc1C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO2/c1-11-3-2-8-16-12(11)13(15)4-6-14(7-5-13)17-9-10-18-14/h2-3,8H,4-7,9-10H2,1H3
InChIKeyXXVZWAPKDBFCSB-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.87
Rot. Bonds1

About 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine

2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine (PubChem CID 67498612) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine
PubChem CID67498612
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine
SMILESCc1cccnc1C1(F)CCC2(CC1)OCCO2
InChIInChI=1S/C14H18FNO2/c1-11-3-2-8-16-12(11)13(15)4-6-14(7-5-13)17-9-10-18-14/h2-3,8H,4-7,9-10H2,1H3
InChIKeyXXVZWAPKDBFCSB-UHFFFAOYSA-N
XLogP2.87
TPSA31.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine?
The IUPAC name of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine (CID 67498612) is 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine.
What is the SMILES notation for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine?
The canonical SMILES for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine is Cc1cccnc1C1(F)CCC2(CC1)OCCO2.
What is the InChIKey of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine?
The InChIKey is XXVZWAPKDBFCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-11-3-2-8-16-12(11)13(15)4-6-14(7-5-13)17-9-10-18-14/h2-3,8H,4-7,9-10H2,1H3.
What are the key properties of 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine?
2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine has a molecular weight of 251.30 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-fluoro-1,4-dioxaspiro[4.5]decan-8-yl)-3-methylpyridine is sourced from PubChem (CID 67498612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).