2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid

C13H13FO2 — CID 91368656

IUPAC2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CCc2cc(F)ccc21
InChIInChI=1S/C13H13FO2/c14-8-2-4-9-7(5-8)1-3-10(9)11-6-12(11)13(15)16/h2,4-5,10-12H,1,3,6H2,(H,15,16)
InChIKeyMUDLUVQDVAHCGZ-UHFFFAOYSA-N
MW220.24 g/mol
LogP2.58
Rot. Bonds2

About 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid

2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid (PubChem CID 91368656) has the molecular formula C13H13FO2 and a molecular weight of 220.24 g/mol. Its IUPAC name is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid
PubChem CID91368656
Molecular FormulaC13H13FO2
Molecular Weight220.24 g/mol
Exact Mass220.09
IUPAC Name2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid
SMILESO=C(O)C1CC1C1CCc2cc(F)ccc21
InChIInChI=1S/C13H13FO2/c14-8-2-4-9-7(5-8)1-3-10(9)11-6-12(11)13(15)16/h2,4-5,10-12H,1,3,6H2,(H,15,16)
InChIKeyMUDLUVQDVAHCGZ-UHFFFAOYSA-N
XLogP2.58
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 ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-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-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057049
(8S,9S,14S,16R,17R)-3,17-dihydroxy-7,8,9,11,12,13,14,15,16,17-decahydro-6H-cyclopenta[a]phenanthrene-16-carboxylic acid
CID 53321635
(1R,1aR,6aR)-4-fluoro-1,1a,6,6a-tetrahydrocyclopropa[a]indene-1-carboxylic acid
CID 125448964
(3S,4S)-1-(5-fluoro-2,3-dihydro-1H-inden-1-yl)-4-methylpyrrolidine-3-carboxylic acid
CID 114086353
6-fluoro-1-methyl-1,2,3,4-tetrahydronaphthalen-2-ol
CID 115010803
2-(6-fluoro-1,3-dimethyl-3,4-dihydro-1H-isoquinoline-2-carbonyl)cyclopropane-1-carboxylic acid
CID 120552476
cis-(1R,2S)-2-(4-fluoro-2-methylphenyl)cyclopropane-1-carboxylic acid
CID 94361039
trans-(1S,2S)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888164
cis-(1S,2R)-2-(2,5-difluorophenyl)cyclopropane-1-carboxylic acid
CID 51888162
2-(5-fluoro-2-methylphenyl)cyclobutane-1-carboxylic acid
CID 81008472
1-cyclohexyl-7-fluoro-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057986
5-fluoro-2,3-dihydro-1H-inden-1-amine
CID 16666328

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid?
The IUPAC name of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid (CID 91368656) is 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid.
What is the SMILES notation for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid?
The canonical SMILES for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid is O=C(O)C1CC1C1CCc2cc(F)ccc21.
What is the InChIKey of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid?
The InChIKey is MUDLUVQDVAHCGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FO2/c14-8-2-4-9-7(5-8)1-3-10(9)11-6-12(11)13(15)16/h2,4-5,10-12H,1,3,6H2,(H,15,16).
What are the key properties of 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid?
2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid has a molecular weight of 220.24 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2,3-dihydro-1H-inden-1-yl)cyclopropane-1-carboxylic acid is sourced from PubChem (CID 91368656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).