3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide

C12H23FN2O — CID 145210013

IUPAC3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide
SMILESCNC(C)=O.FC1CCC2(CCNCC2)C1
InChIInChI=1S/C9H16FN.C3H7NO/c10-8-1-2-9(7-8)3-5-11-6-4-9;1-3(5)4-2/h8,11H,1-7H2;1-2H3,(H,4,5)
InChIKeyUECPZTIVIHCQCP-UHFFFAOYSA-N
MW230.33 g/mol
LogP1.63
Rot. Bonds

About 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide

3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide (PubChem CID 145210013) has the molecular formula C12H23FN2O and a molecular weight of 230.33 g/mol. Its IUPAC name is 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide.

Molecular Properties

Compound Name3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide
PubChem CID145210013
Molecular FormulaC12H23FN2O
Molecular Weight230.33 g/mol
Exact Mass230.18
IUPAC Name3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide
SMILESCNC(C)=O.FC1CCC2(CCNCC2)C1
InChIInChI=1S/C9H16FN.C3H7NO/c10-8-1-2-9(7-8)3-5-11-6-4-9;1-3(5)4-2/h8,11H,1-7H2;1-2H3,(H,4,5)
InChIKeyUECPZTIVIHCQCP-UHFFFAOYSA-N
XLogP1.63
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.33
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;N-methyl-7-azaspiro[3.5]nonane-2-carboxamide
CID 178155529
8-fluoro-2-azaspiro[4.5]decane
CID 105430719
spiro[2.4]heptan-6-yl N-methylcarbamate
CID 118332601
(3R)-N-(cyclopropylmethyl)-8-azaspiro[4.5]decane-3-carboxamide
CID 97493528
N-methyl-3,9-diazaspiro[5.5]undecane-3-carboxamide
CID 155067147
ethane;3-ethyl-8-azaspiro[4.5]decane
CID 170578114
N-[4-(cyclohexylmethyl)piperidin-4-yl]acetamide
CID 18318114
methyl 1-amino-3-fluorocyclopentane-1-carboxylate
CID 115012639
3-propyl-8-azaspiro[4.5]decane
CID 177021329
7-azaspiro[3.5]nonan-2-ol;ethane
CID 145338520
4-acetamido-3-methylpiperidine-4-carboxylic acid
CID 114500616
4-(2-azaspiro[4.4]nonan-8-ylamino)-N-methylbenzamide
CID 152949444

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide?
The IUPAC name of 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide (CID 145210013) is 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide.
What is the SMILES notation for 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide?
The canonical SMILES for 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide is CNC(C)=O.FC1CCC2(CCNCC2)C1.
What is the InChIKey of 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide?
The InChIKey is UECPZTIVIHCQCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN.C3H7NO/c10-8-1-2-9(7-8)3-5-11-6-4-9;1-3(5)4-2/h8,11H,1-7H2;1-2H3,(H,4,5).
What are the key properties of 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide?
3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide has a molecular weight of 230.33 g/mol, XLogP of 1.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-azaspiro[4.5]decane;N-methylacetamide is sourced from PubChem (CID 145210013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).