1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone

C16H12F3NO — CID 91731908

IUPAC1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone
SMILESCc1cccc2c3cccc(C)c3n(C(=O)C(F)(F)F)c12
InChIInChI=1S/C16H12F3NO/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)20(13(9)11)15(21)16(17,18)19/h3-8H,1-2H3
InChIKeyKUVUOVQLDXATDV-UHFFFAOYSA-N
MW291.27 g/mol
LogP4.61
Rot. Bonds

About 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone

1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone (PubChem CID 91731908) has the molecular formula C16H12F3NO and a molecular weight of 291.27 g/mol. Its IUPAC name is 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone
PubChem CID91731908
Molecular FormulaC16H12F3NO
Molecular Weight291.27 g/mol
Exact Mass291.09
IUPAC Name1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone
SMILESCc1cccc2c3cccc(C)c3n(C(=O)C(F)(F)F)c12
InChIInChI=1S/C16H12F3NO/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)20(13(9)11)15(21)16(17,18)19/h3-8H,1-2H3
InChIKeyKUVUOVQLDXATDV-UHFFFAOYSA-N
XLogP4.61
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.27
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone?
The IUPAC name of 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone (CID 91731908) is 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone?
The canonical SMILES for 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone is Cc1cccc2c3cccc(C)c3n(C(=O)C(F)(F)F)c12.
What is the InChIKey of 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone?
The InChIKey is KUVUOVQLDXATDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3NO/c1-9-5-3-7-11-12-8-4-6-10(2)14(12)20(13(9)11)15(21)16(17,18)19/h3-8H,1-2H3.
What are the key properties of 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone?
1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone has a molecular weight of 291.27 g/mol, XLogP of 4.61, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,8-dimethylcarbazol-9-yl)-2,2,2-trifluoroethanone is sourced from PubChem (CID 91731908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).