2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

C15H18ClF3N2 — CID 120908041

IUPAC2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H18ClF3N2/c16-13-6-11(5-12(7-13)15(17,18)19)8-21-4-2-14(10-21)1-3-20-9-14/h5-7,20H,1-4,8-10H2
InChIKeyZNCOVFWHFVECFZ-UHFFFAOYSA-N
MW318.77 g/mol
LogP3.54
Rot. Bonds2

About 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane

2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (PubChem CID 120908041) has the molecular formula C15H18ClF3N2 and a molecular weight of 318.77 g/mol. Its IUPAC name is 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
PubChem CID120908041
Molecular FormulaC15H18ClF3N2
Molecular Weight318.77 g/mol
Exact Mass318.11
IUPAC Name2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
SMILESFC(F)(F)c1cc(Cl)cc(CN2CCC3(CCNC3)C2)c1
InChIInChI=1S/C15H18ClF3N2/c16-13-6-11(5-12(7-13)15(17,18)19)8-21-4-2-14(10-21)1-3-20-9-14/h5-7,20H,1-4,8-10H2
InChIKeyZNCOVFWHFVECFZ-UHFFFAOYSA-N
XLogP3.54
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.77
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
(5R)-2-benzyl-2,7-diazaspiro[4.4]nonane
CID 34178522
2-[(4-chloro-2-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908384
2-benzyl-2,7-diazaspiro[4.4]nonane;methanamine
CID 142253116
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038611
2-[(2,4-dichlorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 82038699
2-[[3-bromo-4-(trifluoromethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908185
2-[(2-chloro-5-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 120966877
2-[[3-ethoxy-4-(2,2,2-trifluoroethoxy)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 120908585
1-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]piperidin-4-amine;hydrochloride
CID 120834544
2-[(3-fluoro-4-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908775
2-[(3-chloro-4-methoxyphenyl)methyl]-2,7-diazaspiro[4.4]nonane;hydrochloride
CID 120908725

Frequently Asked Questions

What is the IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The IUPAC name of 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane (CID 120908041) is 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is FC(F)(F)c1cc(Cl)cc(CN2CCC3(CCNC3)C2)c1.
What is the InChIKey of 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
The InChIKey is ZNCOVFWHFVECFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClF3N2/c16-13-6-11(5-12(7-13)15(17,18)19)8-21-4-2-14(10-21)1-3-20-9-14/h5-7,20H,1-4,8-10H2.
What are the key properties of 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane?
2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane has a molecular weight of 318.77 g/mol, XLogP of 3.54, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-chloro-5-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 120908041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).