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(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone

C17H19F3N2O2 — CID 134789219

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)C1=NOC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)14-9-16(24-21-14)7-8-22(10-16)15(23)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyNAMBKMHECQBROR-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.72
Rot. Bonds2

About (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone

(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone (PubChem CID 134789219) has the molecular formula C17H19F3N2O2 and a molecular weight of 340.35 g/mol. Its IUPAC name is (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone
PubChem CID134789219
Molecular FormulaC17H19F3N2O2
Molecular Weight340.35 g/mol
Exact Mass340.14
IUPAC Name(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone
SMILESCC(C)C1=NOC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1
InChIInChI=1S/C17H19F3N2O2/c1-11(2)14-9-16(24-21-14)7-8-22(10-16)15(23)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3
InChIKeyNAMBKMHECQBROR-UHFFFAOYSA-N
XLogP3.72
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone (CID 134789219) is (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone is CC(C)C1=NOC2(CCN(C(=O)c3ccc(C(F)(F)F)cc3)C2)C1.
What is the InChIKey of (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone?
The InChIKey is NAMBKMHECQBROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O2/c1-11(2)14-9-16(24-21-14)7-8-22(10-16)15(23)12-3-5-13(6-4-12)17(18,19)20/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone?
(3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone has a molecular weight of 340.35 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1-oxa-2,7-diazaspiro[4.4]non-2-en-7-yl)-[4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 134789219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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