1-(5,7-difluoro-1H-indol-6-yl)ethanol

C10H9F2NO — CID 117286630

IUPAC1-(5,7-difluoro-1H-indol-6-yl)ethanol
SMILESCC(O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C10H9F2NO/c1-5(14)8-7(11)4-6-2-3-13-10(6)9(8)12/h2-5,13-14H,1H3
InChIKeyQGHGFBUORJZRHJ-UHFFFAOYSA-N
MW197.18 g/mol
LogP2.50
Rot. Bonds1

About 1-(5,7-difluoro-1H-indol-6-yl)ethanol

1-(5,7-difluoro-1H-indol-6-yl)ethanol (PubChem CID 117286630) has the molecular formula C10H9F2NO and a molecular weight of 197.18 g/mol. Its IUPAC name is 1-(5,7-difluoro-1H-indol-6-yl)ethanol.

Molecular Properties

Compound Name1-(5,7-difluoro-1H-indol-6-yl)ethanol
PubChem CID117286630
Molecular FormulaC10H9F2NO
Molecular Weight197.18 g/mol
Exact Mass197.07
IUPAC Name1-(5,7-difluoro-1H-indol-6-yl)ethanol
SMILESCC(O)c1c(F)cc2cc[nH]c2c1F
InChIInChI=1S/C10H9F2NO/c1-5(14)8-7(11)4-6-2-3-13-10(6)9(8)12/h2-5,13-14H,1H3
InChIKeyQGHGFBUORJZRHJ-UHFFFAOYSA-N
XLogP2.50
TPSA36.02 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

2-amino-2-(5,7-difluoro-1H-indol-6-yl)ethanol
CID 117302615
2-amino-2-(5,7-difluoro-1H-indol-6-yl)acetic acid
CID 117324730
3-amino-2-(5,7-difluoro-1H-indol-6-yl)propanoic acid
CID 117352563
1-(5,7-difluoro-1H-indol-6-yl)propan-2-amine
CID 117300028
5,7-difluoro-1H-indole-6-carboxylic acid
CID 117274550
ethane;7-fluoro-6-methyl-1H-indole
CID 144716067
1-(5,7-difluoro-1H-indol-6-yl)cyclopentan-1-amine
CID 117344483
5-propan-2-yl-1H-indol-7-ol
CID 137431372
5-bromo-7-fluoro-1H-indole
CID 3534880
7-fluoro-1H-indole-5-carboxylic acid
CID 11564558
1-(2,6-difluorophenyl)ethanol
CID 5012075
1-(2-chloro-4,6-difluorophenyl)ethanol
CID 178189080

Frequently Asked Questions

What is the IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)ethanol?
The IUPAC name of 1-(5,7-difluoro-1H-indol-6-yl)ethanol (CID 117286630) is 1-(5,7-difluoro-1H-indol-6-yl)ethanol.
What is the SMILES notation for 1-(5,7-difluoro-1H-indol-6-yl)ethanol?
The canonical SMILES for 1-(5,7-difluoro-1H-indol-6-yl)ethanol is CC(O)c1c(F)cc2cc[nH]c2c1F.
What is the InChIKey of 1-(5,7-difluoro-1H-indol-6-yl)ethanol?
The InChIKey is QGHGFBUORJZRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2NO/c1-5(14)8-7(11)4-6-2-3-13-10(6)9(8)12/h2-5,13-14H,1H3.
What are the key properties of 1-(5,7-difluoro-1H-indol-6-yl)ethanol?
1-(5,7-difluoro-1H-indol-6-yl)ethanol has a molecular weight of 197.18 g/mol, XLogP of 2.50, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,7-difluoro-1H-indol-6-yl)ethanol is sourced from PubChem (CID 117286630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).