7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid

C10H9FO3 — CID 83907940

IUPAC7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
SMILESCC1Oc2c(F)cccc2C1C(=O)O
InChIInChI=1S/C10H9FO3/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13)
InChIKeyVNZQNXQOVAENDR-UHFFFAOYSA-N
MW196.18 g/mol
LogP1.77
Rot. Bonds1

About 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid

7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid (PubChem CID 83907940) has the molecular formula C10H9FO3 and a molecular weight of 196.18 g/mol. Its IUPAC name is 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid.

Molecular Properties

Compound Name7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
PubChem CID83907940
Molecular FormulaC10H9FO3
Molecular Weight196.18 g/mol
Exact Mass196.05
IUPAC Name7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid
SMILESCC1Oc2c(F)cccc2C1C(=O)O
InChIInChI=1S/C10H9FO3/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13)
InChIKeyVNZQNXQOVAENDR-UHFFFAOYSA-N
XLogP1.77
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.18
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-fluoro-2-methyl-2,3-dihydro-1-benzothiophene-3-carboxylic acid
CID 83909743
1-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)-N-methylmethanamine
CID 83907816
7-fluoro-N-methoxy-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 81480868
(2S)-3-(1-chloropropyl)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran
CID 167223494
N-cyclopropyl-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-amine
CID 112716014
1-cyclopentyl-N-[(2S,3S)-7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl]-5-methylpyrazole-4-carboxamide
CID 124721271
3-(3-but-3-ynyldiazirin-3-yl)-N-(7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-yl)propanamide
CID 146152908
methyl (2S,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905953
methyl (2R,3S)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxylate
CID 95905951
8-fluoro-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 22638962
N-(2-hydroxyethyl)-2,3-dimethyl-2,3-dihydro-1-benzofuran-7-carboxamide
CID 43393629
5-fluoro-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid
CID 83685405

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid?
The IUPAC name of 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid (CID 83907940) is 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid.
What is the SMILES notation for 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid?
The canonical SMILES for 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid is CC1Oc2c(F)cccc2C1C(=O)O.
What is the InChIKey of 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid?
The InChIKey is VNZQNXQOVAENDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FO3/c1-5-8(10(12)13)6-3-2-4-7(11)9(6)14-5/h2-5,8H,1H3,(H,12,13).
What are the key properties of 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid?
7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid has a molecular weight of 196.18 g/mol, XLogP of 1.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-methyl-2,3-dihydro-1-benzofuran-3-carboxylic acid is sourced from PubChem (CID 83907940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).