(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

C16H20FNO2 — CID 110203844

IUPAC(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-5-3-13(4-6-14)15(19)18-10-8-16(9-11-18)7-1-2-12-20-16/h3-6H,1-2,7-12H2
InChIKeyIGALAXGUXWVEAV-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.00
Rot. Bonds1

About (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110203844) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110203844
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1ccc(F)cc1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-5-3-13(4-6-14)15(19)18-10-8-16(9-11-18)7-1-2-12-20-16/h3-6H,1-2,7-12H2
InChIKeyIGALAXGUXWVEAV-UHFFFAOYSA-N
XLogP3.00
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.34
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110203844) is (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1ccc(F)cc1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is IGALAXGUXWVEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-5-3-13(4-6-14)15(19)18-10-8-16(9-11-18)7-1-2-12-20-16/h3-6H,1-2,7-12H2.
What are the key properties of (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone has a molecular weight of 277.34 g/mol, XLogP of 3.00, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110203844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).