9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid

C18H14FNO2S — CID 70955498

IUPAC9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n(CC3CC=C(F)S3)c2c1
InChIInChI=1S/C18H14FNO2S/c19-17-8-6-12(23-17)10-20-15-4-2-1-3-13(15)14-7-5-11(18(21)22)9-16(14)20/h1-5,7-9,12H,6,10H2,(H,21,22)
InChIKeyJPORZUQECBHAAY-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.81
Rot. Bonds3

About 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid

9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid (PubChem CID 70955498) has the molecular formula C18H14FNO2S and a molecular weight of 327.38 g/mol. Its IUPAC name is 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid.

Molecular Properties

Compound Name9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid
PubChem CID70955498
Molecular FormulaC18H14FNO2S
Molecular Weight327.38 g/mol
Exact Mass327.07
IUPAC Name9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid
SMILESO=C(O)c1ccc2c3ccccc3n(CC3CC=C(F)S3)c2c1
InChIInChI=1S/C18H14FNO2S/c19-17-8-6-12(23-17)10-20-15-4-2-1-3-13(15)14-7-5-11(18(21)22)9-16(14)20/h1-5,7-9,12H,6,10H2,(H,21,22)
InChIKeyJPORZUQECBHAAY-UHFFFAOYSA-N
XLogP4.81
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid?
The IUPAC name of 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid (CID 70955498) is 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid.
What is the SMILES notation for 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid?
The canonical SMILES for 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid is O=C(O)c1ccc2c3ccccc3n(CC3CC=C(F)S3)c2c1.
What is the InChIKey of 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid?
The InChIKey is JPORZUQECBHAAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FNO2S/c19-17-8-6-12(23-17)10-20-15-4-2-1-3-13(15)14-7-5-11(18(21)22)9-16(14)20/h1-5,7-9,12H,6,10H2,(H,21,22).
What are the key properties of 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid?
9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid has a molecular weight of 327.38 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(5-fluoro-2,3-dihydrothiophen-2-yl)methyl]carbazole-2-carboxylic acid is sourced from PubChem (CID 70955498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).