1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol

C15H19BrFNO — CID 170041480

IUPAC1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol
SMILESCC(O)c1cn(CC(C)(C)C)c2cc(Br)c(F)cc12
InChIInChI=1S/C15H19BrFNO/c1-9(19)11-7-18(8-15(2,3)4)14-6-12(16)13(17)5-10(11)14/h5-7,9,19H,8H2,1-4H3
InChIKeyUBLYNQQIXLCQAR-UHFFFAOYSA-N
MW328.23 g/mol
LogP4.64
Rot. Bonds2

About 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol

1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol (PubChem CID 170041480) has the molecular formula C15H19BrFNO and a molecular weight of 328.23 g/mol. Its IUPAC name is 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol.

Molecular Properties

Compound Name1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol
PubChem CID170041480
Molecular FormulaC15H19BrFNO
Molecular Weight328.23 g/mol
Exact Mass327.06
IUPAC Name1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol
SMILESCC(O)c1cn(CC(C)(C)C)c2cc(Br)c(F)cc12
InChIInChI=1S/C15H19BrFNO/c1-9(19)11-7-18(8-15(2,3)4)14-6-12(16)13(17)5-10(11)14/h5-7,9,19H,8H2,1-4H3
InChIKeyUBLYNQQIXLCQAR-UHFFFAOYSA-N
XLogP4.64
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.23
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol?
The IUPAC name of 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol (CID 170041480) is 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol.
What is the SMILES notation for 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol?
The canonical SMILES for 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol is CC(O)c1cn(CC(C)(C)C)c2cc(Br)c(F)cc12.
What is the InChIKey of 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol?
The InChIKey is UBLYNQQIXLCQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrFNO/c1-9(19)11-7-18(8-15(2,3)4)14-6-12(16)13(17)5-10(11)14/h5-7,9,19H,8H2,1-4H3.
What are the key properties of 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol?
1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol has a molecular weight of 328.23 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-1-(2,2-dimethylpropyl)-5-fluoroindol-3-yl]ethanol is sourced from PubChem (CID 170041480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).