(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

C9H14F2N2O2 — CID 129494636

IUPAC(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CC(F)F)CCO[C@]12CCNC2
InChIInChI=1S/C9H14F2N2O2/c10-7(11)5-13-3-4-15-9(8(13)14)1-2-12-6-9/h7,12H,1-6H2/t9-/m0/s1
InChIKeyIJKSDPYPOSJVBQ-VIFPVBQESA-N
MW220.22 g/mol
LogP-0.16
Rot. Bonds2

About (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one

(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (PubChem CID 129494636) has the molecular formula C9H14F2N2O2 and a molecular weight of 220.22 g/mol. Its IUPAC name is (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.

Molecular Properties

Compound Name(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
PubChem CID129494636
Molecular FormulaC9H14F2N2O2
Molecular Weight220.22 g/mol
Exact Mass220.10
IUPAC Name(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one
SMILESO=C1N(CC(F)F)CCO[C@]12CCNC2
InChIInChI=1S/C9H14F2N2O2/c10-7(11)5-13-3-4-15-9(8(13)14)1-2-12-6-9/h7,12H,1-6H2/t9-/m0/s1
InChIKeyIJKSDPYPOSJVBQ-VIFPVBQESA-N
XLogP-0.16
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.22
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(6S)-4-ethyl-1-oxa-4,8-diazaspiro[5.5]undecan-5-one
CID 129495417
1-(2,2-difluoroethyl)imidazolidin-2-one
CID 87326984
spiro[6,7-dihydropyrazolo[5,1-c][1,4]oxazine-4,3'-pyrrolidine]
CID 175780207
6,6-dimethyl-4-(2-methylpropyl)-1,4-diazepan-5-one
CID 83699633
7-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 56900937
2-methyl-3-propan-2-yl-6-oxa-2,9-diazaspiro[4.5]decan-1-one
CID 167428133
12-ethyl-4-oxa-8,12-diazadispiro[2.1.55.33]tridecan-13-one;2,2,2-trifluoroacetic acid
CID 118560861
(5R)-2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 124537264
11-ethyl-8,11-diazaspiro[5.6]dodecan-12-one
CID 115100283
5-ethyl-4'-(4-fluorobenzoyl)spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,2'-morpholine]-6-one
CID 133065920
2-[(3-fluorophenyl)methyl]-2,7-diazaspiro[4.4]nonan-1-one;hydrochloride
CID 155852318
ethane;2-methyl-2,7-diazaspiro[4.4]nonan-1-one
CID 166077351

Frequently Asked Questions

What is the IUPAC name of (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The IUPAC name of (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one (CID 129494636) is (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one.
What is the SMILES notation for (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The canonical SMILES for (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is O=C1N(CC(F)F)CCO[C@]12CCNC2.
What is the InChIKey of (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
The InChIKey is IJKSDPYPOSJVBQ-VIFPVBQESA-N. The full InChI is InChI=1S/C9H14F2N2O2/c10-7(11)5-13-3-4-15-9(8(13)14)1-2-12-6-9/h7,12H,1-6H2/t9-/m0/s1.
What are the key properties of (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one?
(5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one has a molecular weight of 220.22 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-9-(2,2-difluoroethyl)-6-oxa-2,9-diazaspiro[4.5]decan-10-one is sourced from PubChem (CID 129494636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).