1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]

C16H19F2NO3 — CID 129013542

IUPAC1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
SMILESCC1OC(c2ccc(F)cc2F)C2CC3(CCN12)OCCO3
InChIInChI=1S/C16H19F2NO3/c1-10-19-5-4-16(20-6-7-21-16)9-14(19)15(22-10)12-3-2-11(17)8-13(12)18/h2-3,8,10,14-15H,4-7,9H2,1H3
InChIKeyLWMIOKLEEOHBNH-UHFFFAOYSA-N
MW311.33 g/mol
LogP2.59
Rot. Bonds1

About 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]

1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] (PubChem CID 129013542) has the molecular formula C16H19F2NO3 and a molecular weight of 311.33 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane].

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
PubChem CID129013542
Molecular FormulaC16H19F2NO3
Molecular Weight311.33 g/mol
Exact Mass311.13
IUPAC Name1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]
SMILESCC1OC(c2ccc(F)cc2F)C2CC3(CCN12)OCCO3
InChIInChI=1S/C16H19F2NO3/c1-10-19-5-4-16(20-6-7-21-16)9-14(19)15(22-10)12-3-2-11(17)8-13(12)18/h2-3,8,10,14-15H,4-7,9H2,1H3
InChIKeyLWMIOKLEEOHBNH-UHFFFAOYSA-N
XLogP2.59
TPSA30.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] with MolForge

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Related Compounds

(2R,3R)-2-(2,4-difluorophenyl)-3-methyloxirane
CID 131874606
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
8-[(3-fluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 6466091
8-[(3-fluorophenyl)methoxymethyl]-1,4-dioxaspiro[4.5]decane
CID 58923565
8-[(1S)-1-(2,6-difluorophenyl)ethyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 52680462
7-(2,4-difluorophenoxy)-1,4-dioxaspiro[4.5]decan-8-amine
CID 16782593
2-(1,4-dioxa-7-azaspiro[4.4]nonan-7-yl)-4-fluoroaniline
CID 130985556
1,4-dioxa-8-azaspiro[4.5]decan-8-yl-(5-fluoro-2-methylphenyl)methanone
CID 38377681
8-[4-(3-fluorophenyl)cyclohexyl]-1,4-dioxaspiro[4.5]decane
CID 21308588
3-(2,4-difluorophenyl)-2-methyloxiran-2-ol
CID 57033159
8-(2-fluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20610156
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82217044

Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The IUPAC name of 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] (CID 129013542) is 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane].
What is the SMILES notation for 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The canonical SMILES for 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] is CC1OC(c2ccc(F)cc2F)C2CC3(CCN12)OCCO3.
What is the InChIKey of 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
The InChIKey is LWMIOKLEEOHBNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2NO3/c1-10-19-5-4-16(20-6-7-21-16)9-14(19)15(22-10)12-3-2-11(17)8-13(12)18/h2-3,8,10,14-15H,4-7,9H2,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane]?
1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] has a molecular weight of 311.33 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-3-methylspiro[1,3,5,6,8,8a-hexahydro-[1,3]oxazolo[3,4-a]pyridine-7,2'-1,3-dioxolane] is sourced from PubChem (CID 129013542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).