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

C16H20FNO2 — CID 110203849

IUPAC(3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-5-3-4-13(12-14)15(19)18-9-7-16(8-10-18)6-1-2-11-20-16/h3-5,12H,1-2,6-11H2
InChIKeyGJRGJXSZUPZDPW-UHFFFAOYSA-N
MW277.34 g/mol
LogP3.00
Rot. Bonds1

About (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone

(3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (PubChem CID 110203849) has the molecular formula C16H20FNO2 and a molecular weight of 277.34 g/mol. Its IUPAC name is (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
PubChem CID110203849
Molecular FormulaC16H20FNO2
Molecular Weight277.34 g/mol
Exact Mass277.15
IUPAC Name(3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
SMILESO=C(c1cccc(F)c1)N1CCC2(CCCCO2)CC1
InChIInChI=1S/C16H20FNO2/c17-14-5-3-4-13(12-14)15(19)18-9-7-16(8-10-18)6-1-2-11-20-16/h3-5,12H,1-2,6-11H2
InChIKeyGJRGJXSZUPZDPW-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

Analyze (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,4-Dioxa-8-azaspiro[4.5]dec-8-yl(2-fluorophenyl)methanone
CID 1991451
8-(4-Fluorobenzoyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 2241021
N-(2-Fluorobenzoyl)morpholine
CID 531931
N-(4-Fluorobenzoyl)morpholine
CID 531951
4-Fluorophenyl 4-morpholin-4-ylpiperidyl ketone
CID 754216
N-allyl-6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)-N-methylhexan-1-aminium
CID 44306062
N-(6-(1-(4-fluorobenzoyl)piperidin-4-yloxy)hexyl)-N-methylcyclopropanaminium
CID 44306371
3-Fluorobenzoic acid, morpholide
CID 532004
4-(2,6-Difluorobenzoyl)morpholine
CID 532216
1-[4-[Cyclopropyl-[(4-fluorophenyl)methyl]amino]-1-oxa-9-azaspiro[5.5]undecan-9-yl]-2,2-dimethylbutan-1-one
CID 91919185
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
9-(2,5-Difluorobenzoyl)-4-methoxy-1-oxa-9-azaspiro[5.5]undecane
CID 91917965

Frequently Asked Questions

What is the IUPAC name of (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The IUPAC name of (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone (CID 110203849) is (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone.
What is the SMILES notation for (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The canonical SMILES for (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is O=C(c1cccc(F)c1)N1CCC2(CCCCO2)CC1.
What is the InChIKey of (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
The InChIKey is GJRGJXSZUPZDPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO2/c17-14-5-3-4-13(12-14)15(19)18-9-7-16(8-10-18)6-1-2-11-20-16/h3-5,12H,1-2,6-11H2.
What are the key properties of (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone?
(3-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 (3-fluorophenyl)-(1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone is sourced from PubChem (CID 110203849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).