10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one

C20H20FNO — CID 143637777

IUPAC10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one
SMILESCc1c2c(c3c([nH]c4ccc(F)cc43)c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C20H20FNO/c1-10-11(2)19-18(13-7-12(21)5-6-15(13)22-19)17-14(10)8-20(3,4)9-16(17)23/h5-7,22H,8-9H2,1-4H3
InChIKeyKRUUYSQZLBFVCI-UHFFFAOYSA-N
MW309.38 g/mol
LogP5.23
Rot. Bonds

About 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one

10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one (PubChem CID 143637777) has the molecular formula C20H20FNO and a molecular weight of 309.38 g/mol. Its IUPAC name is 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one.

Molecular Properties

Compound Name10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one
PubChem CID143637777
Molecular FormulaC20H20FNO
Molecular Weight309.38 g/mol
Exact Mass309.15
IUPAC Name10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one
SMILESCc1c2c(c3c([nH]c4ccc(F)cc43)c1C)C(=O)CC(C)(C)C2
InChIInChI=1S/C20H20FNO/c1-10-11(2)19-18(13-7-12(21)5-6-15(13)22-19)17-14(10)8-20(3,4)9-16(17)23/h5-7,22H,8-9H2,1-4H3
InChIKeyKRUUYSQZLBFVCI-UHFFFAOYSA-N
XLogP5.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500309.38
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one?
The IUPAC name of 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one (CID 143637777) is 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one.
What is the SMILES notation for 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one?
The canonical SMILES for 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one is Cc1c2c(c3c([nH]c4ccc(F)cc43)c1C)C(=O)CC(C)(C)C2.
What is the InChIKey of 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one?
The InChIKey is KRUUYSQZLBFVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FNO/c1-10-11(2)19-18(13-7-12(21)5-6-15(13)22-19)17-14(10)8-20(3,4)9-16(17)23/h5-7,22H,8-9H2,1-4H3.
What are the key properties of 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one?
10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one has a molecular weight of 309.38 g/mol, XLogP of 5.23, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-fluoro-3,3,5,6-tetramethyl-4,7-dihydro-2H-benzo[c]carbazol-1-one is sourced from PubChem (CID 143637777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).