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

C15H20ClF3N2 — CID 120906720

IUPAC2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Fc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F
InChIInChI=1S/C15H19F3N2.ClH/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;1H
InChIKeyGVPYIELCYLENJV-UHFFFAOYSA-N
MW320.79 g/mol
LogP3.10
Rot. Bonds2

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

2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (PubChem CID 120906720) has the molecular formula C15H20ClF3N2 and a molecular weight of 320.79 g/mol. Its IUPAC name is 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.

Molecular Properties

Compound Name2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
PubChem CID120906720
Molecular FormulaC15H20ClF3N2
Molecular Weight320.79 g/mol
Exact Mass320.13
IUPAC Name2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
SMILESCl.Fc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F
InChIInChI=1S/C15H19F3N2.ClH/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;1H
InChIKeyGVPYIELCYLENJV-UHFFFAOYSA-N
XLogP3.10
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.79
LogP ≤ 53.10
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
CID 120906721
2-[(4-fluoro-3-methylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120907093
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-[(4-methoxy-3,5-dimethylphenyl)methyl]-2,8-diazaspiro[4.5]decane
CID 120906518
2-[(3-pyridin-2-ylphenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907330
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
2-[[3-bromo-4-(difluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120906855
2-[(6-fluoroquinolin-8-yl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride
CID 120907414
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

Frequently Asked Questions

What is the IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The IUPAC name of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride (CID 120906720) is 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride.
What is the SMILES notation for 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The canonical SMILES for 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride is Cl.Fc1cc(CN2CCC3(CCNCC3)C2)cc(F)c1F.
What is the InChIKey of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
The InChIKey is GVPYIELCYLENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F3N2.ClH/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;1H.
What are the key properties of 2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride?
2-[(3,4,5-trifluorophenyl)methyl]-2,8-diazaspiro[4.5]decane;hydrochloride has a molecular weight of 320.79 g/mol, XLogP of 3.10, 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;hydrochloride is sourced from PubChem (CID 120906720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).