(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

C13H19F2NO3 — CID 128575376

IUPAC(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC2(F)F)CC2(CCOC2)O1
InChIInChI=1S/C13H19F2NO3/c1-11(2)6-16(10(17)9-5-13(9,14)15)7-12(19-11)3-4-18-8-12/h9H,3-8H2,1-2H3
InChIKeyPSROJORYVLPFGV-UHFFFAOYSA-N
MW275.29 g/mol
LogP1.44
Rot. Bonds1

About (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone

(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (PubChem CID 128575376) has the molecular formula C13H19F2NO3 and a molecular weight of 275.29 g/mol. Its IUPAC name is (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.

Molecular Properties

Compound Name(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
PubChem CID128575376
Molecular FormulaC13H19F2NO3
Molecular Weight275.29 g/mol
Exact Mass275.13
IUPAC Name(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone
SMILESCC1(C)CN(C(=O)C2CC2(F)F)CC2(CCOC2)O1
InChIInChI=1S/C13H19F2NO3/c1-11(2)6-16(10(17)9-5-13(9,14)15)7-12(19-11)3-4-18-8-12/h9H,3-8H2,1-2H3
InChIKeyPSROJORYVLPFGV-UHFFFAOYSA-N
XLogP1.44
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone with MolForge

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Related Compounds

5-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decane-9-carbonyl)-N-methylpyridine-2-carboxamide
CID 139007743
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(1-methylbenzimidazol-5-yl)methanone
CID 139004659
[(1R)-2,2-difluorocyclopropyl]-[(3S)-3-ethyl-3-methylpyrrolidin-1-yl]methanone
CID 147863064
[(6S)-2,2-dimethyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129349515
[(6R)-2,2-dimethyl-1,8-dioxa-4-azaspiro[5.5]undecan-4-yl]-(3-methyl-1H-pyrrol-2-yl)methanone
CID 129348560
(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)-(3-methyl-4-pyrazol-1-ylphenyl)methanone
CID 128861623
1-oxa-4-azaspiro[5.6]dodecan-4-yl(5-oxaspiro[2.4]heptan-2-yl)methanone
CID 127875131
(2,2-difluorocyclopropyl)-(2-propan-2-yl-2,7-diazaspiro[3.4]octan-7-yl)methanone
CID 171415579
1-(2,6-dioxaspiro[4.5]decan-9-yl)-3-methylazetidin-3-ol
CID 79919999
2-methyl-3-(2,2,5,5-tetramethyloxolan-3-yl)oxolane-3-carboxylic acid
CID 114621870
(2,2-difluorocyclopropyl)-(4-hydroxy-3-propan-2-yl-8-azaspiro[4.5]decan-8-yl)methanone
CID 137386971
(3-fluoro-3-methylpyrrolidin-1-yl)-(oxetan-3-yl)methanone
CID 127013160

Frequently Asked Questions

What is the IUPAC name of (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The IUPAC name of (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone (CID 128575376) is (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone.
What is the SMILES notation for (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The canonical SMILES for (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is CC1(C)CN(C(=O)C2CC2(F)F)CC2(CCOC2)O1.
What is the InChIKey of (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
The InChIKey is PSROJORYVLPFGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F2NO3/c1-11(2)6-16(10(17)9-5-13(9,14)15)7-12(19-11)3-4-18-8-12/h9H,3-8H2,1-2H3.
What are the key properties of (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone?
(2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone has a molecular weight of 275.29 g/mol, XLogP of 1.44, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluorocyclopropyl)-(7,7-dimethyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl)methanone is sourced from PubChem (CID 128575376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).