7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one

C17H22F2N2O2 — CID 131694475

IUPAC7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H22F2N2O2/c1-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)8-13-2-4-14(9-22)5-3-13/h2-5,22H,6-12H2,1H3
InChIKeyVSFDBKIRAWRQFY-UHFFFAOYSA-N
MW324.37 g/mol
LogP1.87
Rot. Bonds3

About 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131694475) has the molecular formula C17H22F2N2O2 and a molecular weight of 324.37 g/mol. Its IUPAC name is 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131694475
Molecular FormulaC17H22F2N2O2
Molecular Weight324.37 g/mol
Exact Mass324.16
IUPAC Name7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCN1CCC2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O
InChIInChI=1S/C17H22F2N2O2/c1-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)8-13-2-4-14(9-22)5-3-13/h2-5,22H,6-12H2,1H3
InChIKeyVSFDBKIRAWRQFY-UHFFFAOYSA-N
XLogP1.87
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.37
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

7,7-difluoro-2-methyl-9-(pyrimidine-2-carbonyl)-2,9-diazaspiro[4.5]decan-1-one
CID 131694806
7,7-difluoro-2-methyl-9-[3-(2-methylphenyl)propanoyl]-2,9-diazaspiro[4.5]decan-1-one
CID 131694991
2-ethyl-6-methyl-2,6-diazaspiro[3.4]octan-5-one
CID 145349631
(5S)-7-methyl-2-(naphthalen-2-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 26333138
8-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-10,10-difluoro-2-(2-methoxyethyl)-2,8-diazaspiro[5.5]undecan-1-one
CID 131657593
[4-[(3-amino-3-propan-2-ylazetidin-1-yl)methyl]phenyl]methanol
CID 113365953
[4-[(2,2,6,6-tetramethylmorpholin-4-yl)methyl]phenyl]methanol
CID 102745130
[4-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]phenyl]methanol
CID 126671151
7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
CID 131695127
methyl 2-hydroxy-5-[[(5R)-7-methyl-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 95197199
[4-[[3,3-bis(trifluoromethyl)pyrrolidin-1-yl]methyl]phenyl]methanol
CID 110009060
7,7-difluoro-9-(1H-pyrazol-4-ylmethyl)-2-pyridin-3-yl-2,9-diazaspiro[4.5]decan-1-one
CID 131694882

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one (CID 131694475) is 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one is CN1CCC2(CN(Cc3ccc(CO)cc3)CC(F)(F)C2)C1=O.
What is the InChIKey of 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is VSFDBKIRAWRQFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F2N2O2/c1-20-7-6-16(15(20)23)10-17(18,19)12-21(11-16)8-13-2-4-14(9-22)5-3-13/h2-5,22H,6-12H2,1H3.
What are the key properties of 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 324.37 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-[[4-(hydroxymethyl)phenyl]methyl]-2-methyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131694475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).