9H-carbazol-2-yl trifluoromethanesulfonate

C13H8F3NO3S — CID 11702417

IUPAC9H-carbazol-2-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)[nH]c1ccccc12)C(F)(F)F
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)21(18,19)20-8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
InChIKeyDTBYYTIINYTKPV-UHFFFAOYSA-N
MW315.27 g/mol
LogP3.55
Rot. Bonds2

About 9H-carbazol-2-yl trifluoromethanesulfonate

9H-carbazol-2-yl trifluoromethanesulfonate (PubChem CID 11702417) has the molecular formula C13H8F3NO3S and a molecular weight of 315.27 g/mol. Its IUPAC name is 9H-carbazol-2-yl trifluoromethanesulfonate.

Molecular Properties

Compound Name9H-carbazol-2-yl trifluoromethanesulfonate
PubChem CID11702417
Molecular FormulaC13H8F3NO3S
Molecular Weight315.27 g/mol
Exact Mass315.02
IUPAC Name9H-carbazol-2-yl trifluoromethanesulfonate
SMILESO=S(=O)(Oc1ccc2c(c1)[nH]c1ccccc12)C(F)(F)F
InChIInChI=1S/C13H8F3NO3S/c14-13(15,16)21(18,19)20-8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H
InChIKeyDTBYYTIINYTKPV-UHFFFAOYSA-N
XLogP3.55
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.27
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Related Compounds

Harmaline
CID 3564
Harmalol
CID 3565
4-Hydroxycarbazole
CID 104251
2-methoxy-3-methyl-9H-carbazole
CID 11052947
3H-Pyrido(3,4-b)indol-7-ol, 4,9-dihydro-1-methyl-, hydrochloride (1:1)
CID 145825
2-Hydroxycarbazole
CID 93551
Phenol, 4,4'-indole-2,3-diyldi-
CID 201385
3-Methyl-1-(3-methyl-2-buten-1-yl)-9H-carbazol-2-ol
CID 5209
3-methyl-9H-carbazol-2-ol
CID 3459141
4-(3-phenyl-1H-indol-2-yl)phenol
CID 44405867
Harmalol hydrochloride dihydrate
CID 135403649
1-methyl-4,9-dihydro-3H-pyrido[3,4-b]indol-7-ol;hydrate;hydrochloride
CID 135624201

Frequently Asked Questions

What is the IUPAC name of 9H-carbazol-2-yl trifluoromethanesulfonate?
The IUPAC name of 9H-carbazol-2-yl trifluoromethanesulfonate (CID 11702417) is 9H-carbazol-2-yl trifluoromethanesulfonate.
What is the SMILES notation for 9H-carbazol-2-yl trifluoromethanesulfonate?
The canonical SMILES for 9H-carbazol-2-yl trifluoromethanesulfonate is O=S(=O)(Oc1ccc2c(c1)[nH]c1ccccc12)C(F)(F)F.
What is the InChIKey of 9H-carbazol-2-yl trifluoromethanesulfonate?
The InChIKey is DTBYYTIINYTKPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO3S/c14-13(15,16)21(18,19)20-8-5-6-10-9-3-1-2-4-11(9)17-12(10)7-8/h1-7,17H.
What are the key properties of 9H-carbazol-2-yl trifluoromethanesulfonate?
9H-carbazol-2-yl trifluoromethanesulfonate has a molecular weight of 315.27 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-carbazol-2-yl trifluoromethanesulfonate is sourced from PubChem (CID 11702417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).