9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

C19H17F4N3O2 — CID 134805757

IUPAC9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H17F4N3O2/c20-14-2-4-15(5-3-14)26-11-18(12-28-8-17(26)27)9-25(10-18)16-6-1-13(7-24-16)19(21,22)23/h1-7H,8-12H2
InChIKeyJWLUXWQHZLTVGT-UHFFFAOYSA-N
MW395.36 g/mol
LogP3.11
Rot. Bonds2

About 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one

9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (PubChem CID 134805757) has the molecular formula C19H17F4N3O2 and a molecular weight of 395.36 g/mol. Its IUPAC name is 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.

Molecular Properties

Compound Name9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
PubChem CID134805757
Molecular FormulaC19H17F4N3O2
Molecular Weight395.36 g/mol
Exact Mass395.13
IUPAC Name9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
SMILESO=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1ccc(F)cc1
InChIInChI=1S/C19H17F4N3O2/c20-14-2-4-15(5-3-14)26-11-18(12-28-8-17(26)27)9-25(10-18)16-6-1-13(7-24-16)19(21,22)23/h1-7H,8-12H2
InChIKeyJWLUXWQHZLTVGT-UHFFFAOYSA-N
XLogP3.11
TPSA45.67 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.36
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one 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

(2R)-9-[2-(2-fluorophenyl)ethyl]-2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567531
N-benzyl-2-methoxy-N-2-pyridinylacetamide
CID 798237
9-[(2-Methylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806381
9-[(2,6-Dimethylphenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134807046
[2-[N-(2-cyanoethyl)-4-fluoroanilino]-2-oxoethyl] 1-[5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 16288327
2-methoxy-1-(1-methyl-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl)ethanone
CID 97383559
2-methoxy-1-[1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepin-4-yl]ethanone
CID 97469036
4-(3-Fluorophenyl)-8-pyridin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 118744809
9-[(2-Chloro-4-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134805037
9-(2-Fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806062
9-Pyridin-3-yl-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134806066
9-[(2-Chloro-6-fluorophenyl)methyl]-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one
CID 134809101

Frequently Asked Questions

What is the IUPAC name of 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The IUPAC name of 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one (CID 134805757) is 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one.
What is the SMILES notation for 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The canonical SMILES for 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is O=C1COCC2(CN(c3ccc(C(F)(F)F)cn3)C2)CN1c1ccc(F)cc1.
What is the InChIKey of 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
The InChIKey is JWLUXWQHZLTVGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F4N3O2/c20-14-2-4-15(5-3-14)26-11-18(12-28-8-17(26)27)9-25(10-18)16-6-1-13(7-24-16)19(21,22)23/h1-7H,8-12H2.
What are the key properties of 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one?
9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one has a molecular weight of 395.36 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-fluorophenyl)-2-[5-(trifluoromethyl)-2-pyridinyl]-6-oxa-2,9-diazaspiro[3.6]decan-8-one is sourced from PubChem (CID 134805757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).