4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid

C15H17FO5 — CID 107675399

IUPAC4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(OC2CCOC3(CCOC3)C2)cc1F
InChIInChI=1S/C15H17FO5/c16-13-7-10(1-2-12(13)14(17)18)21-11-3-5-20-15(8-11)4-6-19-9-15/h1-2,7,11H,3-6,8-9H2,(H,17,18)
InChIKeySGVVPGDKBLKVEM-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.24
Rot. Bonds3

About 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid

4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid (PubChem CID 107675399) has the molecular formula C15H17FO5 and a molecular weight of 296.29 g/mol. Its IUPAC name is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid.

Molecular Properties

Compound Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
PubChem CID107675399
Molecular FormulaC15H17FO5
Molecular Weight296.29 g/mol
Exact Mass296.11
IUPAC Name4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid
SMILESO=C(O)c1ccc(OC2CCOC3(CCOC3)C2)cc1F
InChIInChI=1S/C15H17FO5/c16-13-7-10(1-2-12(13)14(17)18)21-11-3-5-20-15(8-11)4-6-19-9-15/h1-2,7,11H,3-6,8-9H2,(H,17,18)
InChIKeySGVVPGDKBLKVEM-UHFFFAOYSA-N
XLogP2.24
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-5-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 107077160
9-(3-fluoro-4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 107171386
4-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79898959
9-(3-bromo-4-fluorophenoxy)-2,6-dioxaspiro[4.5]decane
CID 83231233
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-3-fluorobenzoic acid
CID 107690082
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)thiophene-2-carboxylic acid
CID 79904569
2,6-dioxaspiro[4.5]decan-9-yl 5-amino-2-fluorobenzoate
CID 79909001
9-(4-methylphenoxy)-2,6-dioxaspiro[4.5]decane
CID 79922926
[4-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]boronic acid
CID 79894699
4-amino-3-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzoic acid
CID 79900845
1-[5-chloro-2-(2,6-dioxaspiro[4.5]decan-9-yloxy)phenyl]ethanone
CID 79901655
2-chloro-4-(2,6-dioxaspiro[4.5]decan-9-yloxy)benzonitrile
CID 102724034

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid?
The IUPAC name of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid (CID 107675399) is 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid.
What is the SMILES notation for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid?
The canonical SMILES for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid is O=C(O)c1ccc(OC2CCOC3(CCOC3)C2)cc1F.
What is the InChIKey of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid?
The InChIKey is SGVVPGDKBLKVEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FO5/c16-13-7-10(1-2-12(13)14(17)18)21-11-3-5-20-15(8-11)4-6-19-9-15/h1-2,7,11H,3-6,8-9H2,(H,17,18).
What are the key properties of 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid?
4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid has a molecular weight of 296.29 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-dioxaspiro[4.5]decan-9-yloxy)-2-fluorobenzoic acid is sourced from PubChem (CID 107675399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).