2-(7-fluoro-1H-inden-2-yl)propanoic acid

C12H11FO2 — CID 105458484

IUPAC2-(7-fluoro-1H-inden-2-yl)propanoic acid
SMILESCC(C(=O)O)C1=Cc2cccc(F)c2C1
InChIInChI=1S/C12H11FO2/c1-7(12(14)15)9-5-8-3-2-4-11(13)10(8)6-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyZAPYQIHAPYYFQR-UHFFFAOYSA-N
MW206.22 g/mol
LogP2.49
Rot. Bonds2

About 2-(7-fluoro-1H-inden-2-yl)propanoic acid

2-(7-fluoro-1H-inden-2-yl)propanoic acid (PubChem CID 105458484) has the molecular formula C12H11FO2 and a molecular weight of 206.22 g/mol. Its IUPAC name is 2-(7-fluoro-1H-inden-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(7-fluoro-1H-inden-2-yl)propanoic acid
PubChem CID105458484
Molecular FormulaC12H11FO2
Molecular Weight206.22 g/mol
Exact Mass206.07
IUPAC Name2-(7-fluoro-1H-inden-2-yl)propanoic acid
SMILESCC(C(=O)O)C1=Cc2cccc(F)c2C1
InChIInChI=1S/C12H11FO2/c1-7(12(14)15)9-5-8-3-2-4-11(13)10(8)6-9/h2-5,7H,6H2,1H3,(H,14,15)
InChIKeyZAPYQIHAPYYFQR-UHFFFAOYSA-N
XLogP2.49
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.22
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(7-fluoro-1H-inden-2-yl)propan-1-amine
CID 105445162
2-(5-methyl-3,4-dihydronaphthalen-2-yl)propanoic acid
CID 105469803
2-bromo-7-fluoro-1H-indene
CID 164583222
2-(4-fluoro-2,3-dihydro-1H-indol-2-yl)propanoic acid
CID 117198704
2-[3-(difluoromethyl)-2-fluorophenyl]propanoic acid
CID 165489779
3-(4-fluoro-2,3-dihydro-1H-indol-2-yl)-2-methylpropanoic acid
CID 117198716
4-(2,6-difluorophenyl)-4-hydroxy-2,3-dimethylbutanoic acid
CID 79414912
2-(3-fluoro-2-pyridinyl)propanoic acid
CID 91647505
(2S)-2-(4-fluoronaphthalen-1-yl)propanoic acid
CID 86333572
2-(3-bromo-2-fluorophenyl)propanoic acid
CID 83723745
3-(2,3-difluorophenyl)-2-methylpropanoic acid
CID 61130457
(2R)-2-amino-2-(2-fluoro-6-hydroxyphenyl)acetic acid
CID 130640522

Frequently Asked Questions

What is the IUPAC name of 2-(7-fluoro-1H-inden-2-yl)propanoic acid?
The IUPAC name of 2-(7-fluoro-1H-inden-2-yl)propanoic acid (CID 105458484) is 2-(7-fluoro-1H-inden-2-yl)propanoic acid.
What is the SMILES notation for 2-(7-fluoro-1H-inden-2-yl)propanoic acid?
The canonical SMILES for 2-(7-fluoro-1H-inden-2-yl)propanoic acid is CC(C(=O)O)C1=Cc2cccc(F)c2C1.
What is the InChIKey of 2-(7-fluoro-1H-inden-2-yl)propanoic acid?
The InChIKey is ZAPYQIHAPYYFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO2/c1-7(12(14)15)9-5-8-3-2-4-11(13)10(8)6-9/h2-5,7H,6H2,1H3,(H,14,15).
What are the key properties of 2-(7-fluoro-1H-inden-2-yl)propanoic acid?
2-(7-fluoro-1H-inden-2-yl)propanoic acid has a molecular weight of 206.22 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-fluoro-1H-inden-2-yl)propanoic acid is sourced from PubChem (CID 105458484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).