6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol

C13H10Cl2F3NO — CID 52943430

IUPAC6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
SMILESOC1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H10Cl2F3NO/c14-6-4-8-7-2-1-3-12(20,13(16,17)18)11(7)19-10(8)9(15)5-6/h4-5,19-20H,1-3H2
InChIKeyGLOACQUUNCBWQT-UHFFFAOYSA-N
MW324.13 g/mol
LogP4.56
Rot. Bonds

About 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol

6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol (PubChem CID 52943430) has the molecular formula C13H10Cl2F3NO and a molecular weight of 324.13 g/mol. Its IUPAC name is 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol.

Molecular Properties

Compound Name6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
PubChem CID52943430
Molecular FormulaC13H10Cl2F3NO
Molecular Weight324.13 g/mol
Exact Mass323.01
IUPAC Name6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol
SMILESOC1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)cc21
InChIInChI=1S/C13H10Cl2F3NO/c14-6-4-8-7-2-1-3-12(20,13(16,17)18)11(7)19-10(8)9(15)5-6/h4-5,19-20H,1-3H2
InChIKeyGLOACQUUNCBWQT-UHFFFAOYSA-N
XLogP4.56
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The IUPAC name of 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol (CID 52943430) is 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol.
What is the SMILES notation for 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The canonical SMILES for 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol is OC1(C(F)(F)F)CCCc2c1[nH]c1c(Cl)cc(Cl)cc21.
What is the InChIKey of 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
The InChIKey is GLOACQUUNCBWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F3NO/c14-6-4-8-7-2-1-3-12(20,13(16,17)18)11(7)19-10(8)9(15)5-6/h4-5,19-20H,1-3H2.
What are the key properties of 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol?
6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol has a molecular weight of 324.13 g/mol, XLogP of 4.56, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,8-dichloro-1-(trifluoromethyl)-2,3,4,9-tetrahydrocarbazol-1-ol is sourced from PubChem (CID 52943430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).