2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol

C11H16FNO — CID 166944410

IUPAC2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol
SMILESCN1CC(CCO)C2=CC(F)=CCC21
InChIInChI=1S/C11H16FNO/c1-13-7-8(4-5-14)10-6-9(12)2-3-11(10)13/h2,6,8,11,14H,3-5,7H2,1H3
InChIKeySYJHBTIRDYISSO-UHFFFAOYSA-N
MW197.25 g/mol
LogP1.48
Rot. Bonds2

About 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol

2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol (PubChem CID 166944410) has the molecular formula C11H16FNO and a molecular weight of 197.25 g/mol. Its IUPAC name is 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol.

Molecular Properties

Compound Name2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol
PubChem CID166944410
Molecular FormulaC11H16FNO
Molecular Weight197.25 g/mol
Exact Mass197.12
IUPAC Name2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol
SMILESCN1CC(CCO)C2=CC(F)=CCC21
InChIInChI=1S/C11H16FNO/c1-13-7-8(4-5-14)10-6-9(12)2-3-11(10)13/h2,6,8,11,14H,3-5,7H2,1H3
InChIKeySYJHBTIRDYISSO-UHFFFAOYSA-N
XLogP1.48
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.25
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol?
The IUPAC name of 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol (CID 166944410) is 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol.
What is the SMILES notation for 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol?
The canonical SMILES for 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol is CN1CC(CCO)C2=CC(F)=CCC21.
What is the InChIKey of 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol?
The InChIKey is SYJHBTIRDYISSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO/c1-13-7-8(4-5-14)10-6-9(12)2-3-11(10)13/h2,6,8,11,14H,3-5,7H2,1H3.
What are the key properties of 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol?
2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol has a molecular weight of 197.25 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-1-methyl-2,3,7,7a-tetrahydroindol-3-yl)ethanol is sourced from PubChem (CID 166944410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).