[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

C25H28F4N2O5 — CID 135237361

IUPAC[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOc1ccc(COC[C@@H](OC(=O)N2CCC3(CC2)CC(c2ccc(F)cn2)CO3)C(F)(F)F)cc1
InChIInChI=1S/C25H28F4N2O5/c1-33-20-5-2-17(3-6-20)14-34-16-22(25(27,28)29)36-23(32)31-10-8-24(9-11-31)12-18(15-35-24)21-7-4-19(26)13-30-21/h2-7,13,18,22H,8-12,14-16H2,1H3/t18?,22-/m1/s1
InChIKeyHCBBTLXKQUOTFV-LMNIDFBRSA-N
MW512.50 g/mol
LogP4.85
Rot. Bonds7

About [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate

[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (PubChem CID 135237361) has the molecular formula C25H28F4N2O5 and a molecular weight of 512.50 g/mol. Its IUPAC name is [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
PubChem CID135237361
Molecular FormulaC25H28F4N2O5
Molecular Weight512.50 g/mol
Exact Mass512.19
IUPAC Name[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate
SMILESCOc1ccc(COC[C@@H](OC(=O)N2CCC3(CC2)CC(c2ccc(F)cn2)CO3)C(F)(F)F)cc1
InChIInChI=1S/C25H28F4N2O5/c1-33-20-5-2-17(3-6-20)14-34-16-22(25(27,28)29)36-23(32)31-10-8-24(9-11-31)12-18(15-35-24)21-7-4-19(26)13-30-21/h2-7,13,18,22H,8-12,14-16H2,1H3/t18?,22-/m1/s1
InChIKeyHCBBTLXKQUOTFV-LMNIDFBRSA-N
XLogP4.85
TPSA70.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.50
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-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 [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The IUPAC name of [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate (CID 135237361) is [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is COc1ccc(COC[C@@H](OC(=O)N2CCC3(CC2)CC(c2ccc(F)cn2)CO3)C(F)(F)F)cc1.
What is the InChIKey of [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
The InChIKey is HCBBTLXKQUOTFV-LMNIDFBRSA-N. The full InChI is InChI=1S/C25H28F4N2O5/c1-33-20-5-2-17(3-6-20)14-34-16-22(25(27,28)29)36-23(32)31-10-8-24(9-11-31)12-18(15-35-24)21-7-4-19(26)13-30-21/h2-7,13,18,22H,8-12,14-16H2,1H3/t18?,22-/m1/s1.
What are the key properties of [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate?
[(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate has a molecular weight of 512.50 g/mol, XLogP of 4.85, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1,1,1-trifluoro-3-[(4-methoxyphenyl)methoxy]propan-2-yl] 3-(5-fluoro-2-pyridinyl)-1-oxa-8-azaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135237361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).