[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

C13H19F3N2O2 — CID 174319253

IUPAC[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCOCC1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C13H19F3N2O2/c1-20-5-9-4-17-6-11(9)7-18(8-11)10(19)12(2-3-12)13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyCFBFGUXFVDWWLB-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.02
Rot. Bonds3

About [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone

[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (PubChem CID 174319253) has the molecular formula C13H19F3N2O2 and a molecular weight of 292.30 g/mol. Its IUPAC name is [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.

Molecular Properties

Compound Name[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
PubChem CID174319253
Molecular FormulaC13H19F3N2O2
Molecular Weight292.30 g/mol
Exact Mass292.14
IUPAC Name[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone
SMILESCOCC1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2
InChIInChI=1S/C13H19F3N2O2/c1-20-5-9-4-17-6-11(9)7-18(8-11)10(19)12(2-3-12)13(14,15)16/h9,17H,2-8H2,1H3
InChIKeyCFBFGUXFVDWWLB-UHFFFAOYSA-N
XLogP1.02
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The IUPAC name of [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone (CID 174319253) is [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone.
What is the SMILES notation for [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The canonical SMILES for [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is COCC1CNCC12CN(C(=O)C1(C(F)(F)F)CC1)C2.
What is the InChIKey of [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
The InChIKey is CFBFGUXFVDWWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2O2/c1-20-5-9-4-17-6-11(9)7-18(8-11)10(19)12(2-3-12)13(14,15)16/h9,17H,2-8H2,1H3.
What are the key properties of [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone?
[5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone has a molecular weight of 292.30 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(methoxymethyl)-2,7-diazaspiro[3.4]octan-2-yl]-[1-(trifluoromethyl)cyclopropyl]methanone is sourced from PubChem (CID 174319253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).