[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol

C10H7BrF3NO — CID 138755830

IUPAC[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol
SMILESOCc1cc(Br)c2ccn(C(F)(F)F)c2c1
InChIInChI=1S/C10H7BrF3NO/c11-8-3-6(5-16)4-9-7(8)1-2-15(9)10(12,13)14/h1-4,16H,5H2
InChIKeyQSEYXBKEJFFJTA-UHFFFAOYSA-N
MW294.07 g/mol
LogP3.37
Rot. Bonds1

About [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol

[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol (PubChem CID 138755830) has the molecular formula C10H7BrF3NO and a molecular weight of 294.07 g/mol. Its IUPAC name is [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol.

Molecular Properties

Compound Name[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol
PubChem CID138755830
Molecular FormulaC10H7BrF3NO
Molecular Weight294.07 g/mol
Exact Mass292.97
IUPAC Name[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol
SMILESOCc1cc(Br)c2ccn(C(F)(F)F)c2c1
InChIInChI=1S/C10H7BrF3NO/c11-8-3-6(5-16)4-9-7(8)1-2-15(9)10(12,13)14/h1-4,16H,5H2
InChIKeyQSEYXBKEJFFJTA-UHFFFAOYSA-N
XLogP3.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.07
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol?
The IUPAC name of [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol (CID 138755830) is [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol.
What is the SMILES notation for [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol?
The canonical SMILES for [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol is OCc1cc(Br)c2ccn(C(F)(F)F)c2c1.
What is the InChIKey of [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol?
The InChIKey is QSEYXBKEJFFJTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrF3NO/c11-8-3-6(5-16)4-9-7(8)1-2-15(9)10(12,13)14/h1-4,16H,5H2.
What are the key properties of [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol?
[4-bromo-1-(trifluoromethyl)indol-6-yl]methanol has a molecular weight of 294.07 g/mol, XLogP of 3.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-bromo-1-(trifluoromethyl)indol-6-yl]methanol is sourced from PubChem (CID 138755830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).