8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

C9H11F2NO3 — CID 50994116

IUPAC8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C9H11F2NO3/c10-9(11)3-1-8(2-4-9)5-6(7(13)14)12-15-8/h1-5H2,(H,13,14)
InChIKeyNFHCYIZFHJSCSF-UHFFFAOYSA-N
MW219.19 g/mol
LogP1.80
Rot. Bonds1

About 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid

8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (PubChem CID 50994116) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.

Molecular Properties

Compound Name8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
PubChem CID50994116
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
SMILESO=C(O)C1=NOC2(CCC(F)(F)CC2)C1
InChIInChI=1S/C9H11F2NO3/c10-9(11)3-1-8(2-4-9)5-6(7(13)14)12-15-8/h1-5H2,(H,13,14)
InChIKeyNFHCYIZFHJSCSF-UHFFFAOYSA-N
XLogP1.80
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-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

Ethyl 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylate
CID 50994113
3-Hydroxy-3-(trifluoromethyl)-3a,4,6,7-tetrahydro-2,1-benzoxazol-5-one
CID 91872050
7-(Trifluoromethyl)-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165749603
1-Oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 50994114
5,5-dipentyl-4H-1,2-oxazole-3-carboxylic acid
CID 66587689
4-Butyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 69117134
5-butyl-5-methyl-4H-1,2-oxazole-3-carboxylic acid
CID 156510677
1-Oxa-2-azaspiro[4.4]non-2-ene-3-carboxylic acid
CID 131160394
1-Oxa-2-azaspiro[4.6]undec-2-ene-3-carboxylic acid
CID 165470054
8-Ethyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165470055
8-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477798
7-Methyl-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid
CID 165477849

Frequently Asked Questions

What is the IUPAC name of 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The IUPAC name of 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid (CID 50994116) is 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid.
What is the SMILES notation for 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The canonical SMILES for 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is O=C(O)C1=NOC2(CCC(F)(F)CC2)C1.
What is the InChIKey of 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
The InChIKey is NFHCYIZFHJSCSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c10-9(11)3-1-8(2-4-9)5-6(7(13)14)12-15-8/h1-5H2,(H,13,14).
What are the key properties of 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid?
8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid has a molecular weight of 219.19 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,8-difluoro-1-oxa-2-azaspiro[4.5]dec-2-ene-3-carboxylic acid is sourced from PubChem (CID 50994116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).