2-(4,5-difluoro-1H-indol-7-yl)ethanol

C10H9F2NO — CID 55266249

IUPAC2-(4,5-difluoro-1H-indol-7-yl)ethanol
SMILESOCCc1cc(F)c(F)c2cc[nH]c12
InChIInChI=1S/C10H9F2NO/c11-8-5-6(2-4-14)10-7(9(8)12)1-3-13-10/h1,3,5,13-14H,2,4H2
InChIKeyCIZHPAKIBHOISS-UHFFFAOYSA-N
MW197.18 g/mol
LogP1.98
Rot. Bonds2

About 2-(4,5-difluoro-1H-indol-7-yl)ethanol

2-(4,5-difluoro-1H-indol-7-yl)ethanol (PubChem CID 55266249) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 2-(4,5-difluoro-1H-indol-7-yl)ethanol.

Molecular Properties

Compound Name2-(4,5-difluoro-1H-indol-7-yl)ethanol
PubChem CID55266249
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name2-(4,5-difluoro-1H-indol-7-yl)ethanol
SMILESOCCc1cc(F)c(F)c2cc[nH]c12
InChIInChI=1S/C10H9F2NO/c11-8-5-6(2-4-14)10-7(9(8)12)1-3-13-10/h1,3,5,13-14H,2,4H2
InChIKeyCIZHPAKIBHOISS-UHFFFAOYSA-N
XLogP1.98
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 51.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-difluoro-1H-indol-7-yl)ethanol?
The IUPAC name of 2-(4,5-difluoro-1H-indol-7-yl)ethanol (CID 55266249) is 2-(4,5-difluoro-1H-indol-7-yl)ethanol.
What is the SMILES notation for 2-(4,5-difluoro-1H-indol-7-yl)ethanol?
The canonical SMILES for 2-(4,5-difluoro-1H-indol-7-yl)ethanol is OCCc1cc(F)c(F)c2cc[nH]c12.
What is the InChIKey of 2-(4,5-difluoro-1H-indol-7-yl)ethanol?
The InChIKey is CIZHPAKIBHOISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c11-8-5-6(2-4-14)10-7(9(8)12)1-3-13-10/h1,3,5,13-14H,2,4H2.
What are the key properties of 2-(4,5-difluoro-1H-indol-7-yl)ethanol?
2-(4,5-difluoro-1H-indol-7-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 1.98, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-difluoro-1H-indol-7-yl)ethanol is sourced from PubChem (CID 55266249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).