8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate

C14H6ClF3NO2- — CID 163199736

IUPAC8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate
SMILESO=C([O-])c1cccc2c1[nH]c1c(Cl)ccc(C(F)(F)F)c12
InChIInChI=1S/C14H7ClF3NO2/c15-9-5-4-8(14(16,17)18)10-6-2-1-3-7(13(20)21)11(6)19-12(9)10/h1-5,19H,(H,20,21)/p-1
InChIKeyPEYWSCSQNBTVBY-UHFFFAOYSA-M
MW312.65 g/mol
LogP3.36
Rot. Bonds1

About 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate

8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate (PubChem CID 163199736) has the molecular formula C14H6ClF3NO2- and a molecular weight of 312.65 g/mol. Its IUPAC name is 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate.

Molecular Properties

Compound Name8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate
PubChem CID163199736
Molecular FormulaC14H6ClF3NO2-
Molecular Weight312.65 g/mol
Exact Mass312.00
IUPAC Name8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate
SMILESO=C([O-])c1cccc2c1[nH]c1c(Cl)ccc(C(F)(F)F)c12
InChIInChI=1S/C14H7ClF3NO2/c15-9-5-4-8(14(16,17)18)10-6-2-1-3-7(13(20)21)11(6)19-12(9)10/h1-5,19H,(H,20,21)/p-1
InChIKeyPEYWSCSQNBTVBY-UHFFFAOYSA-M
XLogP3.36
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.65
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate?
The IUPAC name of 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate (CID 163199736) is 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate.
What is the SMILES notation for 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate?
The canonical SMILES for 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate is O=C([O-])c1cccc2c1[nH]c1c(Cl)ccc(C(F)(F)F)c12.
What is the InChIKey of 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate?
The InChIKey is PEYWSCSQNBTVBY-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H7ClF3NO2/c15-9-5-4-8(14(16,17)18)10-6-2-1-3-7(13(20)21)11(6)19-12(9)10/h1-5,19H,(H,20,21)/p-1.
What are the key properties of 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate?
8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate has a molecular weight of 312.65 g/mol, XLogP of 3.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5-(trifluoromethyl)-9H-carbazole-1-carboxylate is sourced from PubChem (CID 163199736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).