(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one

C26H30F4N2O2 — CID 150066151

IUPAC(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCC2(CCNCC2c2cccc(C)c2F)CC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H30F4N2O2/c1-18-7-6-10-20(22(18)27)21-17-31-14-11-24(21)12-15-32(16-13-24)23(33)25(34-2,26(28,29)30)19-8-4-3-5-9-19/h3-10,21,31H,11-17H2,1-2H3/t21?,25-/m1/s1
InChIKeyDOIBHJXMOIWNGI-UIDYPRJRSA-N
MW478.53 g/mol
LogP4.92
Rot. Bonds4

About (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one

(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one (PubChem CID 150066151) has the molecular formula C26H30F4N2O2 and a molecular weight of 478.53 g/mol. Its IUPAC name is (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one.

Molecular Properties

Compound Name(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one
PubChem CID150066151
Molecular FormulaC26H30F4N2O2
Molecular Weight478.53 g/mol
Exact Mass478.22
IUPAC Name(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one
SMILESCO[C@@](C(=O)N1CCC2(CCNCC2c2cccc(C)c2F)CC1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C26H30F4N2O2/c1-18-7-6-10-20(22(18)27)21-17-31-14-11-24(21)12-15-32(16-13-24)23(33)25(34-2,26(28,29)30)19-8-4-3-5-9-19/h3-10,21,31H,11-17H2,1-2H3/t21?,25-/m1/s1
InChIKeyDOIBHJXMOIWNGI-UIDYPRJRSA-N
XLogP4.92
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.53
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one?
The IUPAC name of (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one (CID 150066151) is (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one.
What is the SMILES notation for (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one?
The canonical SMILES for (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one is CO[C@@](C(=O)N1CCC2(CCNCC2c2cccc(C)c2F)CC1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one?
The InChIKey is DOIBHJXMOIWNGI-UIDYPRJRSA-N. The full InChI is InChI=1S/C26H30F4N2O2/c1-18-7-6-10-20(22(18)27)21-17-31-14-11-24(21)12-15-32(16-13-24)23(33)25(34-2,26(28,29)30)19-8-4-3-5-9-19/h3-10,21,31H,11-17H2,1-2H3/t21?,25-/m1/s1.
What are the key properties of (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one?
(2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one has a molecular weight of 478.53 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,3-trifluoro-1-[11-(2-fluoro-3-methylphenyl)-3,9-diazaspiro[5.5]undecan-3-yl]-2-methoxy-2-phenylpropan-1-one is sourced from PubChem (CID 150066151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).