4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C20H21FN2O3 — CID 66783952

IUPAC4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccccc1F
InChIInChI=1S/C20H21FN2O3/c21-17-3-1-2-4-18(17)23-14-20(26-13-19(23)25)9-11-22(12-10-20)15-5-7-16(24)8-6-15/h1-8,24H,9-14H2
InChIKeyIXXQFNRUTGAKEV-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.93
Rot. Bonds2

About 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 66783952) has the molecular formula C20H21FN2O3 and a molecular weight of 356.40 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID66783952
Molecular FormulaC20H21FN2O3
Molecular Weight356.40 g/mol
Exact Mass356.15
IUPAC Name4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESO=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccccc1F
InChIInChI=1S/C20H21FN2O3/c21-17-3-1-2-4-18(17)23-14-20(26-13-19(23)25)9-11-22(12-10-20)15-5-7-16(24)8-6-15/h1-8,24H,9-14H2
InChIKeyIXXQFNRUTGAKEV-UHFFFAOYSA-N
XLogP2.93
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 66783952) is 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is O=C1COC2(CCN(c3ccc(O)cc3)CC2)CN1c1ccccc1F.
What is the InChIKey of 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is IXXQFNRUTGAKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN2O3/c21-17-3-1-2-4-18(17)23-14-20(26-13-19(23)25)9-11-22(12-10-20)15-5-7-16(24)8-6-15/h1-8,24H,9-14H2.
What are the key properties of 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 356.40 g/mol, XLogP of 2.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-9-(4-hydroxyphenyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 66783952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).