2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol

C17H25FN2O2 — CID 58168490

IUPAC2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol
SMILESOCCc1ccc(F)c(CN2CCC3(CC2)CNCCO3)c1
InChIInChI=1S/C17H25FN2O2/c18-16-2-1-14(3-9-21)11-15(16)12-20-7-4-17(5-8-20)13-19-6-10-22-17/h1-2,11,19,21H,3-10,12-13H2
InChIKeyKJOPFDPXKUBNAM-UHFFFAOYSA-N
MW308.40 g/mol
LogP1.31
Rot. Bonds4

About 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol

2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol (PubChem CID 58168490) has the molecular formula C17H25FN2O2 and a molecular weight of 308.40 g/mol. Its IUPAC name is 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol.

Molecular Properties

Compound Name2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol
PubChem CID58168490
Molecular FormulaC17H25FN2O2
Molecular Weight308.40 g/mol
Exact Mass308.19
IUPAC Name2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol
SMILESOCCc1ccc(F)c(CN2CCC3(CC2)CNCCO3)c1
InChIInChI=1S/C17H25FN2O2/c18-16-2-1-14(3-9-21)11-15(16)12-20-7-4-17(5-8-20)13-19-6-10-22-17/h1-2,11,19,21H,3-10,12-13H2
InChIKeyKJOPFDPXKUBNAM-UHFFFAOYSA-N
XLogP1.31
TPSA44.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.40
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol?
The IUPAC name of 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol (CID 58168490) is 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol.
What is the SMILES notation for 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol?
The canonical SMILES for 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol is OCCc1ccc(F)c(CN2CCC3(CC2)CNCCO3)c1.
What is the InChIKey of 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol?
The InChIKey is KJOPFDPXKUBNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25FN2O2/c18-16-2-1-14(3-9-21)11-15(16)12-20-7-4-17(5-8-20)13-19-6-10-22-17/h1-2,11,19,21H,3-10,12-13H2.
What are the key properties of 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol?
2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol has a molecular weight of 308.40 g/mol, XLogP of 1.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(1-oxa-4,9-diazaspiro[5.5]undecan-9-ylmethyl)phenyl]ethanol is sourced from PubChem (CID 58168490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).