6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

C15H21F2NO3 — CID 120514848

IUPAC6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CCC(F)(F)CC1)CC2
InChIInChI=1S/C15H21F2NO3/c16-15(17)3-1-10(2-4-15)12(19)18-7-5-14(6-8-18)9-11(14)13(20)21/h10-11H,1-9H2,(H,20,21)
InChIKeyJGWMLEIZNWBECO-UHFFFAOYSA-N
MW301.33 g/mol
LogP2.53
Rot. Bonds2

About 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid

6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (PubChem CID 120514848) has the molecular formula C15H21F2NO3 and a molecular weight of 301.33 g/mol. Its IUPAC name is 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.

Molecular Properties

Compound Name6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
PubChem CID120514848
Molecular FormulaC15H21F2NO3
Molecular Weight301.33 g/mol
Exact Mass301.15
IUPAC Name6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
SMILESO=C(O)C1CC12CCN(C(=O)C1CCC(F)(F)CC1)CC2
InChIInChI=1S/C15H21F2NO3/c16-15(17)3-1-10(2-4-15)12(19)18-7-5-14(6-8-18)9-11(14)13(20)21/h10-11H,1-9H2,(H,20,21)
InChIKeyJGWMLEIZNWBECO-UHFFFAOYSA-N
XLogP2.53
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.33
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-(cyclopropanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174410
6-(spiro[2.4]heptane-2-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119175025
6-(cyclohex-3-ene-1-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119174433
6-(2-methyloxane-4-carbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514750
ethane;6-methyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 144539411
6-(2,2-dicyclopropylacetyl)-6-azaspiro[2.5]octane-2-carboxylic acid
CID 120514832
(2S)-6-propanoyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 174002395
6-phosphanyl-6-azaspiro[2.5]octane-2-carboxylic acid
CID 59395230
6-[4-(cyclopropanecarbonylamino)benzoyl]-6-azaspiro[2.5]octane-2-carboxylic acid
CID 119136538
(4,4-difluorocyclohexyl)-(5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl)methanone
CID 110159642
(4,4-difluorocyclohexyl)-[(5R)-5-hydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]methanone
CID 124940455
ethane;1-[5-(1-methylpiperidine-4-carbonyl)-5-azaspiro[2.4]heptan-2-yl]ethanone
CID 168882155

Frequently Asked Questions

What is the IUPAC name of 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The IUPAC name of 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid (CID 120514848) is 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid.
What is the SMILES notation for 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The canonical SMILES for 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is O=C(O)C1CC12CCN(C(=O)C1CCC(F)(F)CC1)CC2.
What is the InChIKey of 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
The InChIKey is JGWMLEIZNWBECO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21F2NO3/c16-15(17)3-1-10(2-4-15)12(19)18-7-5-14(6-8-18)9-11(14)13(20)21/h10-11H,1-9H2,(H,20,21).
What are the key properties of 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid?
6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid has a molecular weight of 301.33 g/mol, XLogP of 2.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4-difluorocyclohexanecarbonyl)-6-azaspiro[2.5]octane-2-carboxylic acid is sourced from PubChem (CID 120514848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).