3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

C19H16FNO2 — CID 66834694

IUPAC3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O
InChIInChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3
InChIKeyJTFGIALGFLTASL-UHFFFAOYSA-N
MW309.34 g/mol
LogP4.19
Rot. Bonds1

About 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one

3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (PubChem CID 66834694) has the molecular formula C19H16FNO2 and a molecular weight of 309.34 g/mol. Its IUPAC name is 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.

Molecular Properties

Compound Name3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
PubChem CID66834694
Molecular FormulaC19H16FNO2
Molecular Weight309.34 g/mol
Exact Mass309.12
IUPAC Name3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one
SMILESCOc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O
InChIInChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3
InChIKeyJTFGIALGFLTASL-UHFFFAOYSA-N
XLogP4.19
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The IUPAC name of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one (CID 66834694) is 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one.
What is the SMILES notation for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The canonical SMILES for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is COc1ccc2c(c1)C(C)(C)c1[nH]c3cc(F)ccc3c1C2=O.
What is the InChIKey of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
The InChIKey is JTFGIALGFLTASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2/c1-19(2)14-9-11(23-3)5-7-12(14)17(22)16-13-6-4-10(20)8-15(13)21-18(16)19/h4-9,21H,1-3H3.
What are the key properties of 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one?
3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one has a molecular weight of 309.34 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-8-methoxy-6,6-dimethyl-5H-benzo[b]carbazol-11-one is sourced from PubChem (CID 66834694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).