2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane

C15H19F3N2 — CID 120906721

IUPAC2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F
InChIInChI=1S/C15H19F3N2/c16-12-7-11(8-13(17)14(12)18)9-20-6-3-15(10-20)1-4-19-5-2-15/h7-8,19H,1-6,9-10H2
InChIKeyMSGFTSZDKDLZGS-UHFFFAOYSA-N
MW284.32 g/mol
LogP2.68
Rot. Bonds2

About 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane

2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 120906721) has the molecular formula C15H19F3N2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID120906721
Molecular FormulaC15H19F3N2
Molecular Weight284.32 g/mol
Exact Mass284.15
IUPAC Name2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
SMILESFc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F
InChIInChI=1S/C15H19F3N2/c16-12-7-11(8-13(17)14(12)18)9-20-6-3-15(10-20)1-4-19-5-2-15/h7-8,19H,1-6,9-10H2
InChIKeyMSGFTSZDKDLZGS-UHFFFAOYSA-N
XLogP2.68
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906720
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
2-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3,4-dibromophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906816
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[(3-chloro-2-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906452
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
(5R)-7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95724567
7-[(3,4-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909663
2-[(4-propan-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;dihydrochloride
CID 154891864
2-[(1-ethylpyrazol-4-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906680

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane (CID 120906721) is 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane is Fc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F.
What is the InChIKey of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is MSGFTSZDKDLZGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2/c16-12-7-11(8-13(17)14(12)18)9-20-6-3-15(10-20)1-4-19-5-2-15/h7-8,19H,1-6,9-10H2.
What are the key properties of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane?
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 284.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 120906721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).