1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

C19H24F4N2O2 — CID 162626916

IUPAC1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2Cc2cc(F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H24F4N2O2/c1-27-9-8-24-6-2-4-18(17(24)26)5-3-7-25(18)13-14-10-15(19(21,22)23)12-16(20)11-14/h10-12H,2-9,13H2,1H3
InChIKeySUKIRBVMTAOJOV-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.45
Rot. Bonds5

About 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one

1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (PubChem CID 162626916) has the molecular formula C19H24F4N2O2 and a molecular weight of 388.41 g/mol. Its IUPAC name is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
PubChem CID162626916
Molecular FormulaC19H24F4N2O2
Molecular Weight388.41 g/mol
Exact Mass388.18
IUPAC Name1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
SMILESCOCCN1CCCC2(CCCN2Cc2cc(F)cc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C19H24F4N2O2/c1-27-9-8-24-6-2-4-18(17(24)26)5-3-7-25(18)13-14-10-15(19(21,22)23)12-16(20)11-14/h10-12H,2-9,13H2,1H3
InChIKeySUKIRBVMTAOJOV-UHFFFAOYSA-N
XLogP3.45
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one with MolForge

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Related Compounds

9-(2-methoxyethyl)-1-(3-phenylpropyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162627579
1-(1-benzothiophen-3-ylmethyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 157012169
1-(4-fluoro-2-methoxybenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163312104
9-(2-hydroxyethyl)-1-[(2-methoxy-4-pyridinyl)methyl]-1,9-diazaspiro[4.5]decan-10-one
CID 162635206
1-(4-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 163306693
(5R)-2-[(2,5-difluorophenyl)methyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42377378
4-(2-methoxyethyl)-1-methyl-9-(pyridin-4-ylmethyl)-1,4,9-triazaspiro[5.5]undecan-5-one;tris(2,2,2-trifluoroacetic acid)
CID 155869508
(5S)-2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97119601
2-[2-(4-fluorophenoxy)ethyl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72861946
1-ethyl-4-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]piperazine
CID 118088070
1-[2-(1,3-benzodioxol-5-yl)acetyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 162631408
1-(2-chloro-6-fluoro-3-methylbenzoyl)-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one
CID 164696260

Frequently Asked Questions

What is the IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one (CID 162626916) is 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is COCCN1CCCC2(CCCN2Cc2cc(F)cc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
The InChIKey is SUKIRBVMTAOJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F4N2O2/c1-27-9-8-24-6-2-4-18(17(24)26)5-3-7-25(18)13-14-10-15(19(21,22)23)12-16(20)11-14/h10-12H,2-9,13H2,1H3.
What are the key properties of 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one?
1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one has a molecular weight of 388.41 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-9-(2-methoxyethyl)-1,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 162626916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).