4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol

C13H16FNO — CID 82794768

IUPAC4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c1-13(2,16)7-9-15-8-6-10-11(14)4-3-5-12(10)15/h3-6,8,16H,7,9H2,1-2H3
InChIKeyTXQJUDMSTUPRRH-UHFFFAOYSA-N
MW221.28 g/mol
LogP2.94
Rot. Bonds3

About 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol

4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol (PubChem CID 82794768) has the molecular formula C13H16FNO and a molecular weight of 221.28 g/mol. Its IUPAC name is 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
PubChem CID82794768
Molecular FormulaC13H16FNO
Molecular Weight221.28 g/mol
Exact Mass221.12
IUPAC Name4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol
SMILESCC(C)(O)CCn1ccc2c(F)cccc21
InChIInChI=1S/C13H16FNO/c1-13(2,16)7-9-15-8-6-10-11(14)4-3-5-12(10)15/h3-6,8,16H,7,9H2,1-2H3
InChIKeyTXQJUDMSTUPRRH-UHFFFAOYSA-N
XLogP2.94
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.28
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol?
The IUPAC name of 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol (CID 82794768) is 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol?
The canonical SMILES for 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol is CC(C)(O)CCn1ccc2c(F)cccc21.
What is the InChIKey of 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol?
The InChIKey is TXQJUDMSTUPRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO/c1-13(2,16)7-9-15-8-6-10-11(14)4-3-5-12(10)15/h3-6,8,16H,7,9H2,1-2H3.
What are the key properties of 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol?
4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol has a molecular weight of 221.28 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluoroindol-1-yl)-2-methylbutan-2-ol is sourced from PubChem (CID 82794768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).