1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol

C15H19F2NO3 — CID 82217044

IUPAC1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
SMILESOC(CN1CCC2(CC1)OCCO2)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c16-11-1-2-13(17)12(9-11)14(19)10-18-5-3-15(4-6-18)20-7-8-21-15/h1-2,9,14,19H,3-8,10H2
InChIKeyKAFAYAWUHRKQQS-UHFFFAOYSA-N
MW299.32 g/mol
LogP1.84
Rot. Bonds3

About 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol

1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol (PubChem CID 82217044) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
PubChem CID82217044
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Name1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
SMILESOC(CN1CCC2(CC1)OCCO2)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c16-11-1-2-13(17)12(9-11)14(19)10-18-5-3-15(4-6-18)20-7-8-21-15/h1-2,9,14,19H,3-8,10H2
InChIKeyKAFAYAWUHRKQQS-UHFFFAOYSA-N
XLogP1.84
TPSA41.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2,5-difluorophenyl)-2-[3-(hydroxymethyl)pyrrolidin-1-yl]ethanol
CID 111442628
2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-(4-propan-2-ylphenyl)ethanol
CID 82215798
1-(2,5-difluorophenyl)-2-[4-(2-propan-2-yloxyethyl)piperazin-1-yl]ethanol
CID 111542742
8-(2,4-difluorophenyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 20770651
(1R)-1-(2,5-difluorophenyl)-2-[(6R)-2,2,6-trimethylmorpholin-4-yl]ethanol
CID 95586158
(1S)-1-(2,5-difluorophenyl)-2-[(3S)-3-phenylpyrrolidin-1-yl]ethanol
CID 100851245
1-(2,3-dihydro-1H-inden-5-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol
CID 82216666
1-(2,5-difluorophenyl)-2-(3-methylpiperidin-1-yl)ethanol
CID 82217048
2-(3,3-dimethylpyrrolidin-1-yl)-1-(4-fluoro-2-methylphenyl)ethanol
CID 111565203
8-[(3,4-difluorophenyl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
CID 59805850
1-(2,5-difluorophenyl)-2-[4-(1H-1,2,4-triazol-5-yl)piperidin-1-yl]ethanol
CID 111916571
2-[1-[2-(2,5-difluorophenyl)-2-hydroxyethyl]piperidin-3-yl]acetamide
CID 111565375

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol?
The IUPAC name of 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol (CID 82217044) is 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol is OC(CN1CCC2(CC1)OCCO2)c1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol?
The InChIKey is KAFAYAWUHRKQQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c16-11-1-2-13(17)12(9-11)14(19)10-18-5-3-15(4-6-18)20-7-8-21-15/h1-2,9,14,19H,3-8,10H2.
What are the key properties of 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol?
1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol has a molecular weight of 299.32 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanol is sourced from PubChem (CID 82217044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).