3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane

C14H18F3N3O2 — CID 134074910

IUPAC3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C14H18F3N3O2/c1-21-10-8-13(22-9-10)3-6-20(7-4-13)12-18-5-2-11(19-12)14(15,16)17/h2,5,10H,3-4,6-9H2,1H3
InChIKeyVDCUPFAGRAHRAY-UHFFFAOYSA-N
MW317.31 g/mol
LogP2.27
Rot. Bonds2

About 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane

3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane (PubChem CID 134074910) has the molecular formula C14H18F3N3O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane
PubChem CID134074910
Molecular FormulaC14H18F3N3O2
Molecular Weight317.31 g/mol
Exact Mass317.14
IUPAC Name3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane
SMILESCOC1COC2(CCN(c3nccc(C(F)(F)F)n3)CC2)C1
InChIInChI=1S/C14H18F3N3O2/c1-21-10-8-13(22-9-10)3-6-20(7-4-13)12-18-5-2-11(19-12)14(15,16)17/h2,5,10H,3-4,6-9H2,1H3
InChIKeyVDCUPFAGRAHRAY-UHFFFAOYSA-N
XLogP2.27
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane (CID 134074910) is 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane is COC1COC2(CCN(c3nccc(C(F)(F)F)n3)CC2)C1.
What is the InChIKey of 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane?
The InChIKey is VDCUPFAGRAHRAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F3N3O2/c1-21-10-8-13(22-9-10)3-6-20(7-4-13)12-18-5-2-11(19-12)14(15,16)17/h2,5,10H,3-4,6-9H2,1H3.
What are the key properties of 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane?
3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane has a molecular weight of 317.31 g/mol, XLogP of 2.27, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-8-[4-(trifluoromethyl)pyrimidin-2-yl]-1-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 134074910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).