2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol

C16H23FN2O2 — CID 118745428

IUPAC2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
SMILESOCCN1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C16H23FN2O2/c17-14-3-1-4-15(11-14)19-6-2-5-16(13-19)12-18(7-9-20)8-10-21-16/h1,3-4,11,20H,2,5-10,12-13H2
InChIKeyBMTCVLNLHAGCRF-UHFFFAOYSA-N
MW294.37 g/mol
LogP1.49
Rot. Bonds3

About 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol

2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol (PubChem CID 118745428) has the molecular formula C16H23FN2O2 and a molecular weight of 294.37 g/mol. Its IUPAC name is 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol.

Molecular Properties

Compound Name2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
PubChem CID118745428
Molecular FormulaC16H23FN2O2
Molecular Weight294.37 g/mol
Exact Mass294.17
IUPAC Name2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol
SMILESOCCN1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C16H23FN2O2/c17-14-3-1-4-15(11-14)19-6-2-5-16(13-19)12-18(7-9-20)8-10-21-16/h1,3-4,11,20H,2,5-10,12-13H2
InChIKeyBMTCVLNLHAGCRF-UHFFFAOYSA-N
XLogP1.49
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.37
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The IUPAC name of 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol (CID 118745428) is 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol.
What is the SMILES notation for 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The canonical SMILES for 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol is OCCN1CCOC2(CCCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
The InChIKey is BMTCVLNLHAGCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FN2O2/c17-14-3-1-4-15(11-14)19-6-2-5-16(13-19)12-18(7-9-20)8-10-21-16/h1,3-4,11,20H,2,5-10,12-13H2.
What are the key properties of 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol?
2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol has a molecular weight of 294.37 g/mol, XLogP of 1.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(3-fluorophenyl)-1-oxa-4,8-diazaspiro[5.5]undecan-4-yl]ethanol is sourced from PubChem (CID 118745428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).