2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid

C12H13FO3 — CID 105481651

IUPAC2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESCOc1cccc2c1CCC2C(F)C(=O)O
InChIInChI=1S/C12H13FO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6H2,1H3,(H,14,15)
InChIKeyAVANGSMFQVNJKZ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.15
Rot. Bonds3

About 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid

2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid (PubChem CID 105481651) has the molecular formula C12H13FO3 and a molecular weight of 224.23 g/mol. Its IUPAC name is 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
PubChem CID105481651
Molecular FormulaC12H13FO3
Molecular Weight224.23 g/mol
Exact Mass224.08
IUPAC Name2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
SMILESCOc1cccc2c1CCC2C(F)C(=O)O
InChIInChI=1S/C12H13FO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6H2,1H3,(H,14,15)
InChIKeyAVANGSMFQVNJKZ-UHFFFAOYSA-N
XLogP2.15
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-amino-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid
CID 83910520
5-methoxy-1-methyl-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115057140
2-fluoro-2-(5-hydroxy-1,2,3,4-tetrahydronaphthalen-1-yl)acetic acid
CID 105481647
1-cyclopentyl-5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 115058091
(2S)-2-amino-N-(4-methoxy-2,3-dihydro-1H-inden-1-yl)propanamide
CID 119317459
5-methoxy-1-propan-2-yl-1,2,3,4-tetrahydronaphthalen-2-amine
CID 115058079
2-(7-methoxy-2,3-dihydro-1-benzothiophen-3-yl)propanoic acid
CID 83912383
1-(6-methoxy-1,2,3a,4,5,9b-hexahydrobenzo[e]indol-3-yl)propan-1-one
CID 19021486
2-fluoro-2-(5-methoxy-3,4-dihydronaphthalen-1-yl)acetic acid
CID 105497474
1-(difluoromethyl)-5-methoxy-1,2,3,4-tetrahydroisoquinoline
CID 84723493
5-methoxy-1,2,3,4-tetrahydronaphthalene-2-carboxylic acid
CID 12728224
1-(4-methoxy-2,3-dihydro-1H-inden-1-yl)-2-(pyrrolidin-1-ylmethyl)butan-1-one
CID 139785240

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid (CID 105481651) is 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid is COc1cccc2c1CCC2C(F)C(=O)O.
What is the InChIKey of 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
The InChIKey is AVANGSMFQVNJKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO3/c1-16-10-4-2-3-7-8(10)5-6-9(7)11(13)12(14)15/h2-4,9,11H,5-6H2,1H3,(H,14,15).
What are the key properties of 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid?
2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid has a molecular weight of 224.23 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(4-methoxy-2,3-dihydro-1H-inden-1-yl)acetic acid is sourced from PubChem (CID 105481651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).