1-carbazol-9-yl-2,2,2-trifluoroethanone

C14H8F3NO — CID 13072859

IUPAC1-carbazol-9-yl-2,2,2-trifluoroethanone
SMILESO=C(n1c2ccccc2c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13(19)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H
InChIKeyGAYGDUSZOFOTQY-UHFFFAOYSA-N
MW263.22 g/mol
LogP4.00
Rot. Bonds

About 1-carbazol-9-yl-2,2,2-trifluoroethanone

1-carbazol-9-yl-2,2,2-trifluoroethanone (PubChem CID 13072859) has the molecular formula C14H8F3NO and a molecular weight of 263.22 g/mol. Its IUPAC name is 1-carbazol-9-yl-2,2,2-trifluoroethanone.

Molecular Properties

Compound Name1-carbazol-9-yl-2,2,2-trifluoroethanone
PubChem CID13072859
Molecular FormulaC14H8F3NO
Molecular Weight263.22 g/mol
Exact Mass263.06
IUPAC Name1-carbazol-9-yl-2,2,2-trifluoroethanone
SMILESO=C(n1c2ccccc2c2ccccc21)C(F)(F)F
InChIInChI=1S/C14H8F3NO/c15-14(16,17)13(19)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H
InChIKeyGAYGDUSZOFOTQY-UHFFFAOYSA-N
XLogP4.00
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.22
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-carbazol-9-yl-2,2,2-trifluoroethanone?
The IUPAC name of 1-carbazol-9-yl-2,2,2-trifluoroethanone (CID 13072859) is 1-carbazol-9-yl-2,2,2-trifluoroethanone.
What is the SMILES notation for 1-carbazol-9-yl-2,2,2-trifluoroethanone?
The canonical SMILES for 1-carbazol-9-yl-2,2,2-trifluoroethanone is O=C(n1c2ccccc2c2ccccc21)C(F)(F)F.
What is the InChIKey of 1-carbazol-9-yl-2,2,2-trifluoroethanone?
The InChIKey is GAYGDUSZOFOTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NO/c15-14(16,17)13(19)18-11-7-3-1-5-9(11)10-6-2-4-8-12(10)18/h1-8H.
What are the key properties of 1-carbazol-9-yl-2,2,2-trifluoroethanone?
1-carbazol-9-yl-2,2,2-trifluoroethanone has a molecular weight of 263.22 g/mol, XLogP of 4.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-carbazol-9-yl-2,2,2-trifluoroethanone is sourced from PubChem (CID 13072859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).