9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one

C9H14F2N2O — CID 67108882

IUPAC9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one
SMILESNC1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-6(12)3-8(5-9)1-2-13-7(8)14/h6H,1-5,12H2,(H,13,14)
InChIKeyXXOWJDQVAHULRU-UHFFFAOYSA-N
MW204.22 g/mol
LogP0.64
Rot. Bonds

About 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one

9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one (PubChem CID 67108882) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one.

Molecular Properties

Compound Name9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one
PubChem CID67108882
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one
SMILESNC1CC(F)(F)CC2(CCNC2=O)C1
InChIInChI=1S/C9H14F2N2O/c10-9(11)4-6(12)3-8(5-9)1-2-13-7(8)14/h6H,1-5,12H2,(H,13,14)
InChIKeyXXOWJDQVAHULRU-UHFFFAOYSA-N
XLogP0.64
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-Azaspiro(4.5)decan-3-one
CID 47457
2-Azaspiro(4.5)decan-1-one
CID 25067265
8-Amino-2-azaspiro[4.5]decan-3-one
CID 58615081
8,8-Difluoro-2-azaspiro[4.5]decan-1-one
CID 131034098
8-Amino-2-azaspiro(4.5)decan-3-one; trifluoroacetic acid
CID 145913549
8-Amino-2-azaspiro[4.5]decan-1-one; trifluoroacetic acid
CID 146050112
3-methyl-3-(trifluoromethyl)-3a,4,5,6,7,7a-hexahydro-1H-indol-2-one
CID 134963144
3-[(3,3-Difluoro-2,2-dimethylpentyl)amino]cyclohexane-1-carboxamide
CID 132396558
rel-(4R,5S)-5-pentyl-4-(trifluoromethyl)pyrrolidin-2-one
CID 639392
5-Pentyl-4,4-bis(trifluoromethyl)pyrrolidin-2-one
CID 54300343
(5R)-7,7-difluoro-2-azaspiro[4.5]decan-1-one
CID 68341291
5-(4-Fluorocyclohexyl)pyrrolidin-2-one
CID 68848959

Frequently Asked Questions

What is the IUPAC name of 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The IUPAC name of 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one (CID 67108882) is 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one.
What is the SMILES notation for 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The canonical SMILES for 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one is NC1CC(F)(F)CC2(CCNC2=O)C1.
What is the InChIKey of 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one?
The InChIKey is XXOWJDQVAHULRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F2N2O/c10-9(11)4-6(12)3-8(5-9)1-2-13-7(8)14/h6H,1-5,12H2,(H,13,14).
What are the key properties of 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one?
9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one has a molecular weight of 204.22 g/mol, XLogP of 0.64, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7,7-difluoro-2-azaspiro[4.5]decan-1-one is sourced from PubChem (CID 67108882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).