2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride

C17H21ClF4N2O — CID 154898207

IUPAC2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H20F4N2O.ClH/c18-14-2-1-13(17(19,20)21)9-12(14)10-23-11-16(4-3-15(23)24)5-7-22-8-6-16;/h1-2,9,22H,3-8,10-11H2;1H
InChIKeyDPBDBRSVBQCSGZ-UHFFFAOYSA-N
MW380.81 g/mol
LogP3.76
Rot. Bonds2

About 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride

2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride (PubChem CID 154898207) has the molecular formula C17H21ClF4N2O and a molecular weight of 380.81 g/mol. Its IUPAC name is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride.

Molecular Properties

Compound Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
PubChem CID154898207
Molecular FormulaC17H21ClF4N2O
Molecular Weight380.81 g/mol
Exact Mass380.13
IUPAC Name2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride
SMILESCl.O=C1CCC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F
InChIInChI=1S/C17H20F4N2O.ClH/c18-14-2-1-13(17(19,20)21)9-12(14)10-23-11-16(4-3-15(23)24)5-7-22-8-6-16;/h1-2,9,22H,3-8,10-11H2;1H
InChIKeyDPBDBRSVBQCSGZ-UHFFFAOYSA-N
XLogP3.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride with MolForge

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Related Compounds

2-[(3,4-difluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 82930927
2-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70765346
2-[(2-chloro-3-fluorophenyl)methyl]-2,8-diazaspiro[4.5]decan-3-one
CID 115984159
2-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70776926
2-[[2-fluoro-4-(trifluoromethyl)phenyl]methyl]-2,7-diazaspiro[4.4]nonane
CID 150216929
1-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-5-oxopyrrolidine-3-sulfonamide
CID 168718294
4-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(2-phenoxyethyl)-1,4-diazepan-5-one
CID 24733249
2-(2-hydroxyethyl)-9-[[4-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one
CID 70712571
2-fluoro-N-[(4-methylpiperidin-4-yl)methyl]-5-(trifluoromethyl)benzenesulfonamide;hydrochloride
CID 120719849
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 154734264
9-benzyl-3,9-diazaspiro[5.6]dodecan-10-one;hydrochloride
CID 146064547
2-[3-(pyridin-3-ylamino)propyl]-2,9-diazaspiro[5.5]undecan-3-one;dihydrochloride
CID 154925020

Frequently Asked Questions

What is the IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The IUPAC name of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride (CID 154898207) is 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride.
What is the SMILES notation for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The canonical SMILES for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride is Cl.O=C1CCC2(CCNCC2)CN1Cc1cc(C(F)(F)F)ccc1F.
What is the InChIKey of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
The InChIKey is DPBDBRSVBQCSGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F4N2O.ClH/c18-14-2-1-13(17(19,20)21)9-12(14)10-23-11-16(4-3-15(23)24)5-7-22-8-6-16;/h1-2,9,22H,3-8,10-11H2;1H.
What are the key properties of 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride?
2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride has a molecular weight of 380.81 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-fluoro-5-(trifluoromethyl)phenyl]methyl]-2,9-diazaspiro[5.5]undecan-3-one;hydrochloride is sourced from PubChem (CID 154898207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).