4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

C16H18FNO4 — CID 75360256

IUPAC4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO4/c17-12-6-4-5-11(9-12)14(19)18-13(15(20)21)10-22-16(18)7-2-1-3-8-16/h4-6,9,13H,1-3,7-8,10H2,(H,20,21)
InChIKeyLGXFIDVHPASCFL-UHFFFAOYSA-N
MW307.32 g/mol
LogP2.41
Rot. Bonds2

About 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid

4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (PubChem CID 75360256) has the molecular formula C16H18FNO4 and a molecular weight of 307.32 g/mol. Its IUPAC name is 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
PubChem CID75360256
Molecular FormulaC16H18FNO4
Molecular Weight307.32 g/mol
Exact Mass307.12
IUPAC Name4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid
SMILESO=C(O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1
InChIInChI=1S/C16H18FNO4/c17-12-6-4-5-11(9-12)14(19)18-13(15(20)21)10-22-16(18)7-2-1-3-8-16/h4-6,9,13H,1-3,7-8,10H2,(H,20,21)
InChIKeyLGXFIDVHPASCFL-UHFFFAOYSA-N
XLogP2.41
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.32
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The IUPAC name of 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid (CID 75360256) is 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid.
What is the SMILES notation for 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The canonical SMILES for 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is O=C(O)C1COC2(CCCCC2)N1C(=O)c1cccc(F)c1.
What is the InChIKey of 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
The InChIKey is LGXFIDVHPASCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FNO4/c17-12-6-4-5-11(9-12)14(19)18-13(15(20)21)10-22-16(18)7-2-1-3-8-16/h4-6,9,13H,1-3,7-8,10H2,(H,20,21).
What are the key properties of 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid?
4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid has a molecular weight of 307.32 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluorobenzoyl)-1-oxa-4-azaspiro[4.5]decane-3-carboxylic acid is sourced from PubChem (CID 75360256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).