1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate

C19H20F6N2O3 — CID 135238387

IUPAC1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CC1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H20F6N2O3/c20-18(21,22)15(19(23,24)25)30-16(29)26-9-6-17(7-10-26)8-11-27(12-17)14(28)13-4-2-1-3-5-13/h1-5,15H,6-12H2
InChIKeyFIVFLCJVHOGKLP-UHFFFAOYSA-N
MW438.37 g/mol
LogP4.24
Rot. Bonds2

About 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate

1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate (PubChem CID 135238387) has the molecular formula C19H20F6N2O3 and a molecular weight of 438.37 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate
PubChem CID135238387
Molecular FormulaC19H20F6N2O3
Molecular Weight438.37 g/mol
Exact Mass438.14
IUPAC Name1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate
SMILESO=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CC1)CCN(C(=O)c1ccccc1)C2
InChIInChI=1S/C19H20F6N2O3/c20-18(21,22)15(19(23,24)25)30-16(29)26-9-6-17(7-10-26)8-11-27(12-17)14(28)13-4-2-1-3-5-13/h1-5,15H,6-12H2
InChIKeyFIVFLCJVHOGKLP-UHFFFAOYSA-N
XLogP4.24
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.37
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate with MolForge

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Related Compounds

8-Benzoyl-2-[(2,5-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168282338
8-Benzoyl-2-[(2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 168288159
US10030020, Example 178
CID 132114713
US10030020, Example 181
CID 132114889
US10781211, Example 255
CID 155921908
Tert-butyl 4-benzoylpiperazine-1-carboxylate
CID 18519756
1-(3-Fluorobenzoyl)-4-[(1-methylpiperidin-4-YL)oxy]piperidine
CID 91916428
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-[3,5-bis(trifluoromethyl)phenyl]methanone
CID 3232745
[(5S)-2-benzyl-2,7-diazaspiro[4.5]decan-7-yl]-(3-fluorophenyl)methanone
CID 3234539
(3-fluorophenyl)-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3234583
[3,5-bis(trifluoromethyl)phenyl]-[(5S)-2-(2-methylpropyl)-2,7-diazaspiro[4.5]decan-7-yl]methanone
CID 3235377
8-Benzoyl-2-[(3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-1-one
CID 129545673

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The IUPAC name of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate (CID 135238387) is 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The canonical SMILES for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate is O=C(OC(C(F)(F)F)C(F)(F)F)N1CCC2(CC1)CCN(C(=O)c1ccccc1)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
The InChIKey is FIVFLCJVHOGKLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F6N2O3/c20-18(21,22)15(19(23,24)25)30-16(29)26-9-6-17(7-10-26)8-11-27(12-17)14(28)13-4-2-1-3-5-13/h1-5,15H,6-12H2.
What are the key properties of 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate?
1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate has a molecular weight of 438.37 g/mol, XLogP of 4.24, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoropropan-2-yl 2-benzoyl-2,8-diazaspiro[4.5]decane-8-carboxylate is sourced from PubChem (CID 135238387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).