(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

C16H24F4N2O3 — CID 96579108

IUPAC(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(C(=O)COCC(F)(F)C(F)F)C2)CCC1=O
InChIInChI=1S/C16H24F4N2O3/c1-2-21-9-15(6-4-12(21)23)5-3-7-22(10-15)13(24)8-25-11-16(19,20)14(17)18/h14H,2-11H2,1H3/t15-/m0/s1
InChIKeyFUKLWSNAHPZPGG-HNNXBMFYSA-N
MW368.37 g/mol
LogP2.15
Rot. Bonds6

About (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one

(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 96579108) has the molecular formula C16H24F4N2O3 and a molecular weight of 368.37 g/mol. Its IUPAC name is (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID96579108
Molecular FormulaC16H24F4N2O3
Molecular Weight368.37 g/mol
Exact Mass368.17
IUPAC Name(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one
SMILESCCN1C[C@]2(CCCN(C(=O)COCC(F)(F)C(F)F)C2)CCC1=O
InChIInChI=1S/C16H24F4N2O3/c1-2-21-9-15(6-4-12(21)23)5-3-7-22(10-15)13(24)8-25-11-16(19,20)14(17)18/h14H,2-11H2,1H3/t15-/m0/s1
InChIKeyFUKLWSNAHPZPGG-HNNXBMFYSA-N
XLogP2.15
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.37
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one (CID 96579108) is (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is CCN1C[C@]2(CCCN(C(=O)COCC(F)(F)C(F)F)C2)CCC1=O.
What is the InChIKey of (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is FUKLWSNAHPZPGG-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H24F4N2O3/c1-2-21-9-15(6-4-12(21)23)5-3-7-22(10-15)13(24)8-25-11-16(19,20)14(17)18/h14H,2-11H2,1H3/t15-/m0/s1.
What are the key properties of (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one?
(6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 368.37 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-ethyl-8-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 96579108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).