ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate

C18H18FNO2 — CID 10968558

IUPACethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cc(F)ccc1n2C(C)C
InChIInChI=1S/C18H18FNO2/c1-4-22-18(21)12-5-7-16-14(9-12)15-10-13(19)6-8-17(15)20(16)11(2)3/h5-11H,4H2,1-3H3
InChIKeyRGBZBRPWKPBERT-UHFFFAOYSA-N
MW299.35 g/mol
LogP4.69
Rot. Bonds3

About ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate

ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate (PubChem CID 10968558) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
PubChem CID10968558
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Nameethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)c1cc(F)ccc1n2C(C)C
InChIInChI=1S/C18H18FNO2/c1-4-22-18(21)12-5-7-16-14(9-12)15-10-13(19)6-8-17(15)20(16)11(2)3/h5-11H,4H2,1-3H3
InChIKeyRGBZBRPWKPBERT-UHFFFAOYSA-N
XLogP4.69
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate?
The IUPAC name of ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate (CID 10968558) is ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate.
What is the SMILES notation for ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate?
The canonical SMILES for ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate is CCOC(=O)c1ccc2c(c1)c1cc(F)ccc1n2C(C)C.
What is the InChIKey of ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate?
The InChIKey is RGBZBRPWKPBERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-4-22-18(21)12-5-7-16-14(9-12)15-10-13(19)6-8-17(15)20(16)11(2)3/h5-11H,4H2,1-3H3.
What are the key properties of ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate?
ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate has a molecular weight of 299.35 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-fluoro-9-propan-2-ylcarbazole-3-carboxylate is sourced from PubChem (CID 10968558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).