8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid

C14H14FNO2 — CID 83488265

IUPAC8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid
SMILESCn1c2c(c3cccc(F)c31)CCCC2C(=O)O
InChIInChI=1S/C14H14FNO2/c1-16-12-8(4-2-6-10(12)14(17)18)9-5-3-7-11(15)13(9)16/h3,5,7,10H,2,4,6H2,1H3,(H,17,18)
InChIKeyCDYMMSQJRVJSJQ-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.82
Rot. Bonds1

About 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid

8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid (PubChem CID 83488265) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid.

Molecular Properties

Compound Name8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid
PubChem CID83488265
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid
SMILESCn1c2c(c3cccc(F)c31)CCCC2C(=O)O
InChIInChI=1S/C14H14FNO2/c1-16-12-8(4-2-6-10(12)14(17)18)9-5-3-7-11(15)13(9)16/h3,5,7,10H,2,4,6H2,1H3,(H,17,18)
InChIKeyCDYMMSQJRVJSJQ-UHFFFAOYSA-N
XLogP2.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid?
The IUPAC name of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid (CID 83488265) is 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid.
What is the SMILES notation for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid?
The canonical SMILES for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid is Cn1c2c(c3cccc(F)c31)CCCC2C(=O)O.
What is the InChIKey of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid?
The InChIKey is CDYMMSQJRVJSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO2/c1-16-12-8(4-2-6-10(12)14(17)18)9-5-3-7-11(15)13(9)16/h3,5,7,10H,2,4,6H2,1H3,(H,17,18).
What are the key properties of 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid?
8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid has a molecular weight of 247.27 g/mol, XLogP of 2.82, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methyl-1,2,3,4-tetrahydrocarbazole-1-carboxylic acid is sourced from PubChem (CID 83488265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).