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

C18H25FN2O2 — CID 118742411

IUPAC(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone
SMILESCCN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-20-10-11-23-14-18(12-20)8-5-9-21(13-18)17(22)15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14H2,1H3
InChIKeyWTKMIOVSUGDRDF-UHFFFAOYSA-N
MW320.41 g/mol
LogP2.40
Rot. Bonds2

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

(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone (PubChem CID 118742411) has the molecular formula C18H25FN2O2 and a molecular weight of 320.41 g/mol. Its IUPAC name is (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone.

Molecular Properties

Compound Name(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone
PubChem CID118742411
Molecular FormulaC18H25FN2O2
Molecular Weight320.41 g/mol
Exact Mass320.19
IUPAC Name(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone
SMILESCCN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1
InChIInChI=1S/C18H25FN2O2/c1-2-20-10-11-23-14-18(12-20)8-5-9-21(13-18)17(22)15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14H2,1H3
InChIKeyWTKMIOVSUGDRDF-UHFFFAOYSA-N
XLogP2.40
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone?
The IUPAC name of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone (CID 118742411) is (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone.
What is the SMILES notation for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone?
The canonical SMILES for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone is CCN1CCOCC2(CCCN(C(=O)c3ccccc3F)C2)C1.
What is the InChIKey of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone?
The InChIKey is WTKMIOVSUGDRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25FN2O2/c1-2-20-10-11-23-14-18(12-20)8-5-9-21(13-18)17(22)15-6-3-4-7-16(15)19/h3-4,6-7H,2,5,8-14H2,1H3.
What are the key properties of (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone?
(11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone has a molecular weight of 320.41 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (11-ethyl-8-oxa-2,11-diazaspiro[5.6]dodecan-2-yl)-(2-fluorophenyl)methanone is sourced from PubChem (CID 118742411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).