7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

C15H17F5N2 — CID 56752325

IUPAC7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1c(F)c(F)c(CN2CCCC3(CCNC3)C2)c(F)c1F
InChIInChI=1S/C15H17F5N2/c16-10-9(11(17)13(19)14(20)12(10)18)6-22-5-1-2-15(8-22)3-4-21-7-15/h21H,1-8H2
InChIKeyYURKBMGWFGKUCS-UHFFFAOYSA-N
MW320.31 g/mol
LogP2.96
Rot. Bonds2

About 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane

7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (PubChem CID 56752325) has the molecular formula C15H17F5N2 and a molecular weight of 320.31 g/mol. Its IUPAC name is 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.

Molecular Properties

Compound Name7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
PubChem CID56752325
Molecular FormulaC15H17F5N2
Molecular Weight320.31 g/mol
Exact Mass320.13
IUPAC Name7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
SMILESFc1c(F)c(F)c(CN2CCCC3(CCNC3)C2)c(F)c1F
InChIInChI=1S/C15H17F5N2/c16-10-9(11(17)13(19)14(20)12(10)18)6-22-5-1-2-15(8-22)3-4-21-7-15/h21H,1-8H2
InChIKeyYURKBMGWFGKUCS-UHFFFAOYSA-N
XLogP2.96
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

7-[(2,3-difluorophenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 56909547
(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-[(2,4,6-trimethylphenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849325
2-[(3-bromo-2,6-difluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120908051
5-(2,7-diazaspiro[4.5]decan-7-ylmethyl)-2,4-dimethyl-1,3-thiazole
CID 122558697
7-[(3-ethenylphenyl)methyl]-2,7-diazaspiro[4.5]decane;dihydrochloride
CID 154886143
2-[(4-bromo-2-fluorophenyl)methyl]-2,8-diazaspiro[5.5]undecane
CID 102849338
(5R)-7-[(2,3-dimethoxyphenyl)methyl]-2,7-diazaspiro[4.5]decane
CID 95729851
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
7-[(6-methoxy-1,3-benzodioxol-5-yl)methyl]-2,7-diazaspiro[4.5]decane
CID 56754640
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116

Frequently Asked Questions

What is the IUPAC name of 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The IUPAC name of 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane (CID 56752325) is 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane.
What is the SMILES notation for 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The canonical SMILES for 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is Fc1c(F)c(F)c(CN2CCCC3(CCNC3)C2)c(F)c1F.
What is the InChIKey of 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
The InChIKey is YURKBMGWFGKUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F5N2/c16-10-9(11(17)13(19)14(20)12(10)18)6-22-5-1-2-15(8-22)3-4-21-7-15/h21H,1-8H2.
What are the key properties of 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane?
7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane has a molecular weight of 320.31 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(2,3,4,5,6-pentafluorophenyl)methyl]-2,7-diazaspiro[4.5]decane is sourced from PubChem (CID 56752325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).