7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid

C12H8ClFO3 — CID 55068397

IUPAC7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2c(Cl)cc(F)cc2c1C1CC1
InChIInChI=1S/C12H8ClFO3/c13-8-4-6(14)3-7-9(5-1-2-5)11(12(15)16)17-10(7)8/h3-5H,1-2H2,(H,15,16)
InChIKeyJXCMFFVPJLCOJW-UHFFFAOYSA-N
MW254.64 g/mol
LogP3.80
Rot. Bonds2

About 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid

7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid (PubChem CID 55068397) has the molecular formula C12H8ClFO3 and a molecular weight of 254.64 g/mol. Its IUPAC name is 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid
PubChem CID55068397
Molecular FormulaC12H8ClFO3
Molecular Weight254.64 g/mol
Exact Mass254.01
IUPAC Name7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid
SMILESO=C(O)c1oc2c(Cl)cc(F)cc2c1C1CC1
InChIInChI=1S/C12H8ClFO3/c13-8-4-6(14)3-7-9(5-1-2-5)11(12(15)16)17-10(7)8/h3-5H,1-2H2,(H,15,16)
InChIKeyJXCMFFVPJLCOJW-UHFFFAOYSA-N
XLogP3.80
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.64
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The IUPAC name of 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid (CID 55068397) is 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid is O=C(O)c1oc2c(Cl)cc(F)cc2c1C1CC1.
What is the InChIKey of 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid?
The InChIKey is JXCMFFVPJLCOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO3/c13-8-4-6(14)3-7-9(5-1-2-5)11(12(15)16)17-10(7)8/h3-5H,1-2H2,(H,15,16).
What are the key properties of 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid?
7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid has a molecular weight of 254.64 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-cyclopropyl-5-fluoro-1-benzofuran-2-carboxylic acid is sourced from PubChem (CID 55068397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).