6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole

C13H11BrF3N — CID 155934568

IUPAC6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
SMILESFC(F)(F)n1c2c(c3cc(Br)ccc31)CCCC2
InChIInChI=1S/C13H11BrF3N/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12)13(15,16)17/h5-7H,1-4H2
InChIKeyPHDPIIUSWIHVJR-UHFFFAOYSA-N
MW318.14 g/mol
LogP4.76
Rot. Bonds

About 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole

6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole (PubChem CID 155934568) has the molecular formula C13H11BrF3N and a molecular weight of 318.14 g/mol. Its IUPAC name is 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole.

Molecular Properties

Compound Name6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
PubChem CID155934568
Molecular FormulaC13H11BrF3N
Molecular Weight318.14 g/mol
Exact Mass317.00
IUPAC Name6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole
SMILESFC(F)(F)n1c2c(c3cc(Br)ccc31)CCCC2
InChIInChI=1S/C13H11BrF3N/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12)13(15,16)17/h5-7H,1-4H2
InChIKeyPHDPIIUSWIHVJR-UHFFFAOYSA-N
XLogP4.76
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.14
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole?
The IUPAC name of 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole (CID 155934568) is 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole.
What is the SMILES notation for 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole?
The canonical SMILES for 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole is FC(F)(F)n1c2c(c3cc(Br)ccc31)CCCC2.
What is the InChIKey of 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole?
The InChIKey is PHDPIIUSWIHVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrF3N/c14-8-5-6-12-10(7-8)9-3-1-2-4-11(9)18(12)13(15,16)17/h5-7H,1-4H2.
What are the key properties of 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole?
6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole has a molecular weight of 318.14 g/mol, XLogP of 4.76, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-9-(trifluoromethyl)-1,2,3,4-tetrahydrocarbazole is sourced from PubChem (CID 155934568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).