7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one

C17H19F3N2O3 — CID 131695127

IUPAC7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CC(F)(F)CC3(CCN(C)C3=O)C2)cc1F
InChIInChI=1S/C17H19F3N2O3/c1-21-6-5-16(15(21)24)8-17(19,20)10-22(9-16)14(23)11-3-4-13(25-2)12(18)7-11/h3-4,7H,5-6,8-10H2,1-2H3
InChIKeyOKYJOVGJTUERPI-UHFFFAOYSA-N
MW356.34 g/mol
LogP2.16
Rot. Bonds2

About 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one

7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695127) has the molecular formula C17H19F3N2O3 and a molecular weight of 356.34 g/mol. Its IUPAC name is 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695127
Molecular FormulaC17H19F3N2O3
Molecular Weight356.34 g/mol
Exact Mass356.13
IUPAC Name7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one
SMILESCOc1ccc(C(=O)N2CC(F)(F)CC3(CCN(C)C3=O)C2)cc1F
InChIInChI=1S/C17H19F3N2O3/c1-21-6-5-16(15(21)24)8-17(19,20)10-22(9-16)14(23)11-3-4-13(25-2)12(18)7-11/h3-4,7H,5-6,8-10H2,1-2H3
InChIKeyOKYJOVGJTUERPI-UHFFFAOYSA-N
XLogP2.16
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.34
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one with MolForge

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Related Compounds

azocan-1-yl-(3-fluoro-4-methoxyphenyl)methanone
CID 86906608
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CID 107160164
(3-fluoro-4-methoxyphenyl)-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazin-1-yl]methanone
CID 122343513
(3,3-difluoroazetidin-1-yl)-(3-fluoro-4-propan-2-ylphenyl)methanone
CID 153498765
[4-(bromomethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 80678015
(3-fluoro-4-methoxyphenyl)-(3-methylpiperazin-1-yl)methanone
CID 65418976
4-(3-fluoro-4-methoxybenzoyl)-1-methyl-1,4,10-triazaspiro[5.6]dodecan-9-one
CID 72873562
(3-fluoro-4-methoxyphenyl)-[(3R)-3-(hydroxymethyl)-3-(2-methoxyethyl)piperidin-1-yl]methanone
CID 97125477
(3-chloropyrrolidin-1-yl)-(3-fluoro-4-methoxyphenyl)methanone
CID 63394230
[4-(1-aminoethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 63597078
[4-(2-bromoethoxy)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 82688043
[(4R)-3,3-dimethyl-4-(trifluoromethyl)piperidin-1-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 99795437

Frequently Asked Questions

What is the IUPAC name of 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one (CID 131695127) is 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one is COc1ccc(C(=O)N2CC(F)(F)CC3(CCN(C)C3=O)C2)cc1F.
What is the InChIKey of 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is OKYJOVGJTUERPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F3N2O3/c1-21-6-5-16(15(21)24)8-17(19,20)10-22(9-16)14(23)11-3-4-13(25-2)12(18)7-11/h3-4,7H,5-6,8-10H2,1-2H3.
What are the key properties of 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one?
7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 356.34 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-difluoro-9-(3-fluoro-4-methoxybenzoyl)-2-methyl-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).