2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane

C9H12F3N3O — CID 43316687

IUPAC2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane
SMILESCn1ccnc1C1(C(F)(F)F)NCCCO1
InChIInChI=1S/C9H12F3N3O/c1-15-5-4-13-7(15)8(9(10,11)12)14-3-2-6-16-8/h4-5,14H,2-3,6H2,1H3
InChIKeyGCVZIHQQJHVUKI-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.15
Rot. Bonds1

About 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane

2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane (PubChem CID 43316687) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane.

Molecular Properties

Compound Name2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane
PubChem CID43316687
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane
SMILESCn1ccnc1C1(C(F)(F)F)NCCCO1
InChIInChI=1S/C9H12F3N3O/c1-15-5-4-13-7(15)8(9(10,11)12)14-3-2-6-16-8/h4-5,14H,2-3,6H2,1H3
InChIKeyGCVZIHQQJHVUKI-UHFFFAOYSA-N
XLogP1.15
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane?
The IUPAC name of 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane (CID 43316687) is 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane.
What is the SMILES notation for 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane?
The canonical SMILES for 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane is Cn1ccnc1C1(C(F)(F)F)NCCCO1.
What is the InChIKey of 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane?
The InChIKey is GCVZIHQQJHVUKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-15-5-4-13-7(15)8(9(10,11)12)14-3-2-6-16-8/h4-5,14H,2-3,6H2,1H3.
What are the key properties of 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane?
2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane has a molecular weight of 235.21 g/mol, XLogP of 1.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylimidazol-2-yl)-2-(trifluoromethyl)-1,3-oxazinane is sourced from PubChem (CID 43316687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).