9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

C16H22F2N2O2 — CID 131695182

IUPAC9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CC1=CCCCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)9-15(6-7-19-14(15)22)10-20(11-16)13(21)8-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,19,22)
InChIKeyCPYSWQLLCOWQEH-UHFFFAOYSA-N
MW312.36 g/mol
LogP2.25
Rot. Bonds2

About 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one

9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (PubChem CID 131695182) has the molecular formula C16H22F2N2O2 and a molecular weight of 312.36 g/mol. Its IUPAC name is 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
PubChem CID131695182
Molecular FormulaC16H22F2N2O2
Molecular Weight312.36 g/mol
Exact Mass312.16
IUPAC Name9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one
SMILESO=C(CC1=CCCCC1)N1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C16H22F2N2O2/c17-16(18)9-15(6-7-19-14(15)22)10-20(11-16)13(21)8-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,19,22)
InChIKeyCPYSWQLLCOWQEH-UHFFFAOYSA-N
XLogP2.25
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.36
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 110344189
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CID 114489839
CID 114489839
CID 129540208
CID 129540208
CID 129540209
CID 129540209
CID 129540464
CID 129540464
CID 129540465
CID 129540465
CID 131695002
CID 131695002
CID 154567929
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CID 162588674
CID 162588674

Frequently Asked Questions

What is the IUPAC name of 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The IUPAC name of 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one (CID 131695182) is 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The canonical SMILES for 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is O=C(CC1=CCCCC1)N1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
The InChIKey is CPYSWQLLCOWQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2O2/c17-16(18)9-15(6-7-19-14(15)22)10-20(11-16)13(21)8-12-4-2-1-3-5-12/h4H,1-3,5-11H2,(H,19,22).
What are the key properties of 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one?
9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one has a molecular weight of 312.36 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[2-(cyclohexen-1-yl)acetyl]-7,7-difluoro-2,9-diazaspiro[4.5]decan-1-one is sourced from PubChem (CID 131695182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).