1-(4-fluoro-1-methylindol-3-yl)ethanol

C11H12FNO — CID 117119627

IUPAC1-(4-fluoro-1-methylindol-3-yl)ethanol
SMILESCC(O)c1cn(C)c2cccc(F)c12
InChIInChI=1S/C11H12FNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-7,14H,1-2H3
InChIKeyGGCVLTLBVJCZDZ-UHFFFAOYSA-N
MW193.22 g/mol
LogP2.37
Rot. Bonds1

About 1-(4-fluoro-1-methylindol-3-yl)ethanol

1-(4-fluoro-1-methylindol-3-yl)ethanol (PubChem CID 117119627) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 1-(4-fluoro-1-methylindol-3-yl)ethanol.

Molecular Properties

Compound Name1-(4-fluoro-1-methylindol-3-yl)ethanol
PubChem CID117119627
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name1-(4-fluoro-1-methylindol-3-yl)ethanol
SMILESCC(O)c1cn(C)c2cccc(F)c12
InChIInChI=1S/C11H12FNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-7,14H,1-2H3
InChIKeyGGCVLTLBVJCZDZ-UHFFFAOYSA-N
XLogP2.37
TPSA25.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-chloro-1-methylindol-4-yl)ethanol
CID 84677358
3-(1-fluoroethyl)-1-methylindol-4-ol
CID 84664633
4-fluoro-1-methyl-3-(propan-2-ylsulfonylmethyl)indole
CID 117171230
1-(5-fluoro-1-methylindol-3-yl)ethanol
CID 117121009
3-(1-fluoroethyl)-1-methylindole-4-carboxylic acid
CID 84686515
1-methyl-4-propan-2-ylindole-3-thiol
CID 143675631
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-methyl-3-propan-2-ylindole
CID 10942942
1-[3-fluoro-2-(1-fluoroethyl)phenyl]ethanol
CID 84660540
2-(1-ethyl-4-fluoroindol-3-yl)propan-1-amine
CID 117119694
(1R)-1-(4-methoxy-1-methylindol-3-yl)propan-1-ol
CID 107360558
1-[1-methyl-4-(trifluoromethyl)indol-3-yl]propan-2-ol
CID 117119526

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluoro-1-methylindol-3-yl)ethanol?
The IUPAC name of 1-(4-fluoro-1-methylindol-3-yl)ethanol (CID 117119627) is 1-(4-fluoro-1-methylindol-3-yl)ethanol.
What is the SMILES notation for 1-(4-fluoro-1-methylindol-3-yl)ethanol?
The canonical SMILES for 1-(4-fluoro-1-methylindol-3-yl)ethanol is CC(O)c1cn(C)c2cccc(F)c12.
What is the InChIKey of 1-(4-fluoro-1-methylindol-3-yl)ethanol?
The InChIKey is GGCVLTLBVJCZDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-7(14)8-6-13(2)10-5-3-4-9(12)11(8)10/h3-7,14H,1-2H3.
What are the key properties of 1-(4-fluoro-1-methylindol-3-yl)ethanol?
1-(4-fluoro-1-methylindol-3-yl)ethanol has a molecular weight of 193.22 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluoro-1-methylindol-3-yl)ethanol is sourced from PubChem (CID 117119627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).