2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one

C11H10F3N3O2 — CID 146108438

IUPAC2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CN(c3ccncc3C(F)(F)F)C2)O1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-15-2-1-8(7)17-5-10(6-17)4-16-9(18)19-10/h1-3H,4-6H2,(H,16,18)
InChIKeyORHZJLVCLSUNMM-UHFFFAOYSA-N
MW273.21 g/mol
LogP1.40
Rot. Bonds1

About 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one

2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one (PubChem CID 146108438) has the molecular formula C11H10F3N3O2 and a molecular weight of 273.21 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
PubChem CID146108438
Molecular FormulaC11H10F3N3O2
Molecular Weight273.21 g/mol
Exact Mass273.07
IUPAC Name2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one
SMILESO=C1NCC2(CN(c3ccncc3C(F)(F)F)C2)O1
InChIInChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-15-2-1-8(7)17-5-10(6-17)4-16-9(18)19-10/h1-3H,4-6H2,(H,16,18)
InChIKeyORHZJLVCLSUNMM-UHFFFAOYSA-N
XLogP1.40
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.21
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one with MolForge

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Related Compounds

tert-butyl N-(3-methylpyridin-4-yl)carbamate
CID 15273533
tert-Butyl (3-fluoropyridin-4-yl)carbamate
CID 71748416
tert-butyl N-[[1-prop-2-enyl-5-(trifluoromethyl)pyrrol-3-yl]methyl]carbamate
CID 135034050
8-{[6-(Trifluoromethyl)-3-pyridinyl]methyl}-1-oxa-3,8-diazaspiro[4.6]undecan-2-one
CID 56904239
8-(3-Fluoropyridin-4-yl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 132410037
4-(3-Trifluoromethylpyridin-4-yl)piperazine-1-carboxylic acid tert-butyl ester
CID 11515466
tert-Butyl ((2-(trifluoromethyl)pyridin-4-yl)methyl)carbamate
CID 59461026
Tert-butyl 8-[3-(trifluoromethyl)pyridin-4-yl]-2,8-diazaspiro[4.5]decane-2-carboxylate
CID 66701017
3-(2-Fluoro-4-pyridinyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one
CID 66784229
tert-Butyl ((6-(trifluoromethyl)pyridin-3-yl)methyl)carbamate
CID 68081662
propan-2-yl N-[3-(trifluoromethyl)-4-pyridinyl]carbamate
CID 68946117
Tert-butyl 4-[[[3-methyl-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]piperidine-1-carboxylate
CID 69830449

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one (CID 146108438) is 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one is O=C1NCC2(CN(c3ccncc3C(F)(F)F)C2)O1.
What is the InChIKey of 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
The InChIKey is ORHZJLVCLSUNMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3O2/c12-11(13,14)7-3-15-2-1-8(7)17-5-10(6-17)4-16-9(18)19-10/h1-3H,4-6H2,(H,16,18).
What are the key properties of 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one?
2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one has a molecular weight of 273.21 g/mol, XLogP of 1.40, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)-4-pyridinyl]-5-oxa-2,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 146108438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).