5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid

C13H13FO2 — CID 65008380

IUPAC5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CC2(CC2)C1
InChIInChI=1S/C13H13FO2/c14-10-3-1-2-9(6-10)13(11(15)16)7-12(8-13)4-5-12/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeyKISPHQKSQVBVFE-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.72
Rot. Bonds2

About 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid

5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid (PubChem CID 65008380) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid.

Molecular Properties

Compound Name5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
PubChem CID65008380
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid
SMILESO=C(O)C1(c2cccc(F)c2)CC2(CC2)C1
InChIInChI=1S/C13H13FO2/c14-10-3-1-2-9(6-10)13(11(15)16)7-12(8-13)4-5-12/h1-3,6H,4-5,7-8H2,(H,15,16)
InChIKeyKISPHQKSQVBVFE-UHFFFAOYSA-N
XLogP2.72
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.24
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-(3-fluorophenyl)spiro[2.3]hexane-5-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

2-(3-fluorophenyl)spiro[3.5]nonane-2-carboxylic acid
CID 65006564
4-(3-fluorophenyl)-1,1-dioxothiane-4-carboxylic acid
CID 146681784
2-(3-methoxyphenyl)spiro[3.3]heptane-2-carboxylic acid
CID 65009647
2-(3-chlorophenyl)-7-oxaspiro[3.5]nonane-2-carboxylic acid
CID 65006156
5-(2,6-dichlorophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008169
1-[3-(4-fluorophenyl)phenyl]cyclopropane-1-carboxylic acid
CID 83549723
5-(4-bromophenyl)spiro[2.3]hexane-5-carboxylic acid
CID 65008275
1-(3-fluorophenyl)-N-(2-phenylpropan-2-yl)cyclopropane-1-carboxamide
CID 139815337
2-[[1-(3-fluorophenyl)cyclobutanecarbonyl]amino]acetic acid
CID 119171698
2-(3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 70487750
3-fluoro-1-[1-(3-fluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 119259632
N-(3-acetamidophenyl)-1-(3-fluorophenyl)cyclopentane-1-carboxamide
CID 26114516

Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The IUPAC name of 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid (CID 65008380) is 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid.
What is the SMILES notation for 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The canonical SMILES for 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid is O=C(O)C1(c2cccc(F)c2)CC2(CC2)C1.
What is the InChIKey of 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid?
The InChIKey is KISPHQKSQVBVFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-10-3-1-2-9(6-10)13(11(15)16)7-12(8-13)4-5-12/h1-3,6H,4-5,7-8H2,(H,15,16).
What are the key properties of 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid?
5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid has a molecular weight of 220.24 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)spiro[2.3]hexane-5-carboxylic acid is sourced from PubChem (CID 65008380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).