(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

C17H23FN2O2 — CID 118745323

IUPAC(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C17H23FN2O2/c1-19-9-10-22-13-17(11-19)7-4-8-20(12-17)16(21)14-5-2-3-6-15(14)18/h2-3,5-6H,4,7-13H2,1H3
InChIKeyIQTIAPOXIOHFCY-UHFFFAOYSA-N
MW306.38 g/mol
LogP2.01
Rot. Bonds1

About (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone

(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (PubChem CID 118745323) has the molecular formula C17H23FN2O2 and a molecular weight of 306.38 g/mol. Its IUPAC name is (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
PubChem CID118745323
Molecular FormulaC17H23FN2O2
Molecular Weight306.38 g/mol
Exact Mass306.17
IUPAC Name(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone
SMILESCN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C17H23FN2O2/c1-19-9-10-22-13-17(11-19)7-4-8-20(12-17)16(21)14-5-2-3-6-15(14)18/h2-3,5-6H,4,7-13H2,1H3
InChIKeyIQTIAPOXIOHFCY-UHFFFAOYSA-N
XLogP2.01
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.38
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The IUPAC name of (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone (CID 118745323) is (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone.
What is the SMILES notation for (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The canonical SMILES for (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is CN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1.
What is the InChIKey of (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
The InChIKey is IQTIAPOXIOHFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN2O2/c1-19-9-10-22-13-17(11-19)7-4-8-20(12-17)16(21)14-5-2-3-6-15(14)18/h2-3,5-6H,4,7-13H2,1H3.
What are the key properties of (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone?
(2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone has a molecular weight of 306.38 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-(11-methyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)methanone is sourced from PubChem (CID 118745323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).