8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

C15H22F2N2O4 — CID 131685023

IUPAC8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(COCCN(C(=O)C3CC(F)(F)C3)C2)OCC1=O
InChIInChI=1S/C15H22F2N2O4/c1-2-18-8-14(23-7-12(18)20)9-19(3-4-22-10-14)13(21)11-5-15(16,17)6-11/h11H,2-10H2,1H3
InChIKeyQZHJSSGIJTXISJ-UHFFFAOYSA-N
MW332.35 g/mol
LogP0.51
Rot. Bonds2

About 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one

8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (PubChem CID 131685023) has the molecular formula C15H22F2N2O4 and a molecular weight of 332.35 g/mol. Its IUPAC name is 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.

Molecular Properties

Compound Name8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
PubChem CID131685023
Molecular FormulaC15H22F2N2O4
Molecular Weight332.35 g/mol
Exact Mass332.15
IUPAC Name8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
SMILESCCN1CC2(COCCN(C(=O)C3CC(F)(F)C3)C2)OCC1=O
InChIInChI=1S/C15H22F2N2O4/c1-2-18-8-14(23-7-12(18)20)9-19(3-4-22-10-14)13(21)11-5-15(16,17)6-11/h11H,2-10H2,1H3
InChIKeyQZHJSSGIJTXISJ-UHFFFAOYSA-N
XLogP0.51
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 50.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-(3,3-difluorocyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-8-yl]-N,N-dimethylacetamide
CID 131683528
4-(cyclopropylmethyl)-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684237
4-(cyclopropylmethyl)-8-(4-methylcyclohexanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684285
4-methyl-8-(3-methylcyclobutanecarbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131690779
(4R)-4-(6,6-difluoro-1,4-oxazepane-4-carbonyl)-1-methylpiperidin-2-one
CID 129349181
(5S)-10-acetyl-2-ethyl-7-(oxane-4-carbonyl)-2,7,10-triazaspiro[4.6]undecan-3-one
CID 97360196
4-(cyclopropylmethyl)-8-(thiadiazole-4-carbonyl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131684279
8-(1-fluorocyclobutanecarbonyl)-4-(1-methylpyrazol-4-yl)-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685128
4-(1-methylpyrazol-4-yl)-8-[(1S,5R)-3-oxabicyclo[3.1.0]hexane-6-carbonyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one
CID 131685265
4-ethyl-8-[(6-methyl-2-pyridinyl)methyl]-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one;2,2,2-trifluoroacetic acid
CID 155836405
(6S)-4-(4-fluorophenyl)-N,N-dimethyl-3-oxo-1,11-dioxa-4,8-diazaspiro[5.6]dodecane-8-carboxamide
CID 97374585
9-(3,3-difluorocyclobutanecarbonyl)-2-methyl-4-phenyl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 131686147

Frequently Asked Questions

What is the IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The IUPAC name of 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one (CID 131685023) is 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one.
What is the SMILES notation for 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The canonical SMILES for 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is CCN1CC2(COCCN(C(=O)C3CC(F)(F)C3)C2)OCC1=O.
What is the InChIKey of 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
The InChIKey is QZHJSSGIJTXISJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F2N2O4/c1-2-18-8-14(23-7-12(18)20)9-19(3-4-22-10-14)13(21)11-5-15(16,17)6-11/h11H,2-10H2,1H3.
What are the key properties of 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one?
8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one has a molecular weight of 332.35 g/mol, XLogP of 0.51, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3,3-difluorocyclobutanecarbonyl)-4-ethyl-1,11-dioxa-4,8-diazaspiro[5.6]dodecan-3-one is sourced from PubChem (CID 131685023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).