(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

C11H16F2N2O — CID 176702301

IUPAC(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCN1CC2(C1)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C11H16F2N2O/c1-14-4-10(5-14)6-15(7-10)9(16)8-2-11(12,13)3-8/h8H,2-7H2,1H3
InChIKeyNOGBUMAFHOUYIS-UHFFFAOYSA-N
MW230.26 g/mol
LogP0.81
Rot. Bonds1

About (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone

(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (PubChem CID 176702301) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.

Molecular Properties

Compound Name(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
PubChem CID176702301
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone
SMILESCN1CC2(C1)CN(C(=O)C1CC(F)(F)C1)C2
InChIInChI=1S/C11H16F2N2O/c1-14-4-10(5-14)6-15(7-10)9(16)8-2-11(12,13)3-8/h8H,2-7H2,1H3
InChIKeyNOGBUMAFHOUYIS-UHFFFAOYSA-N
XLogP0.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-(3,3-difluorocyclobutanecarbonyl)-2,7-diazaspiro[3.4]octan-7-yl]-2-methylpropan-1-one
CID 131684089
(3,3-difluorocyclobutyl)-piperidin-1-ylmethanone
CID 131196465
1-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)ethanone
CID 89224830
azetidin-1-yl-(2-methyl-2-azaspiro[3.5]nonan-7-yl)methanone;ethane
CID 145047717
cyclopropyl-(7-methyl-2,7-diazaspiro[3.5]nonan-2-yl)methanone
CID 126759987
(3,3-difluorocyclobutyl)-[(3S)-3-(methylamino)pyrrolidin-1-yl]methanone
CID 172646215
[(3R,4R)-3-tert-butyl-4-fluoropyrrolidin-1-yl]-(3,3-difluorocyclobutyl)methanone
CID 155261572
(2-methyl-2,7-diazaspiro[3.5]nonan-7-yl)-(1-methylpiperidin-4-yl)methanone
CID 156836980
tert-butyl 6-methyl-2,6-diazaspiro[3.3]heptane-2-carboxylate;ethane
CID 144686266
(6-methyl-6-azaspiro[3.4]octan-2-yl)-piperazin-1-ylmethanone
CID 156836708
ethane;1-[4-(7-methyl-2,7-diazaspiro[3.5]nonane-2-carbonyl)cyclohexyl]ethanone;yttrium
CID 176684065
1-(3,3-difluorocyclobutanecarbonyl)-4-methylpiperidine-3-carboxylic acid
CID 128922387

Frequently Asked Questions

What is the IUPAC name of (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The IUPAC name of (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone (CID 176702301) is (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone.
What is the SMILES notation for (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The canonical SMILES for (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is CN1CC2(C1)CN(C(=O)C1CC(F)(F)C1)C2.
What is the InChIKey of (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
The InChIKey is NOGBUMAFHOUYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-14-4-10(5-14)6-15(7-10)9(16)8-2-11(12,13)3-8/h8H,2-7H2,1H3.
What are the key properties of (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone?
(3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone has a molecular weight of 230.26 g/mol, XLogP of 0.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluorocyclobutyl)-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)methanone is sourced from PubChem (CID 176702301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).