1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C13H18F6N2O3 — CID 142403207

IUPAC1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCNC1COC2(CCN(C(=O)OC(F)(C(F)F)C(F)(F)F)CC2)C1
InChIInChI=1S/C13H18F6N2O3/c1-20-8-6-11(23-7-8)2-4-21(5-3-11)10(22)24-12(16,9(14)15)13(17,18)19/h8-9,20H,2-7H2,1H3
InChIKeyVDPGEYTYQLXNGX-UHFFFAOYSA-N
MW364.29 g/mol
LogP2.46
Rot. Bonds3

About 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 142403207) has the molecular formula C13H18F6N2O3 and a molecular weight of 364.29 g/mol. Its IUPAC name is 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID142403207
Molecular FormulaC13H18F6N2O3
Molecular Weight364.29 g/mol
Exact Mass364.12
IUPAC Name1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCNC1COC2(CCN(C(=O)OC(F)(C(F)F)C(F)(F)F)CC2)C1
InChIInChI=1S/C13H18F6N2O3/c1-20-8-6-11(23-7-8)2-4-21(5-3-11)10(22)24-12(16,9(14)15)13(17,18)19/h8-9,20H,2-7H2,1H3
InChIKeyVDPGEYTYQLXNGX-UHFFFAOYSA-N
XLogP2.46
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.29
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate 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 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 142403207) is 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is CNC1COC2(CCN(C(=O)OC(F)(C(F)F)C(F)(F)F)CC2)C1.
What is the InChIKey of 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is VDPGEYTYQLXNGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6N2O3/c1-20-8-6-11(23-7-8)2-4-21(5-3-11)10(22)24-12(16,9(14)15)13(17,18)19/h8-9,20H,2-7H2,1H3.
What are the key properties of 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 364.29 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3-hexafluoropropan-2-yl 3-(methylamino)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 142403207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).