5,6-difluoro-3-(2-fluoroethyl)-1H-indole

C10H8F3N — CID 89153643

IUPAC5,6-difluoro-3-(2-fluoroethyl)-1H-indole
SMILESFCCc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C10H8F3N/c11-2-1-6-5-14-10-4-9(13)8(12)3-7(6)10/h3-5,14H,1-2H2
InChIKeyVTIVYXPMIVTMGB-UHFFFAOYSA-N
MW199.17 g/mol
LogP2.96
Rot. Bonds2

About 5,6-difluoro-3-(2-fluoroethyl)-1H-indole

5,6-difluoro-3-(2-fluoroethyl)-1H-indole (PubChem CID 89153643) has the molecular formula C10H8F3N and a molecular weight of 199.17 g/mol. Its IUPAC name is 5,6-difluoro-3-(2-fluoroethyl)-1H-indole.

Molecular Properties

Compound Name5,6-difluoro-3-(2-fluoroethyl)-1H-indole
PubChem CID89153643
Molecular FormulaC10H8F3N
Molecular Weight199.17 g/mol
Exact Mass199.06
IUPAC Name5,6-difluoro-3-(2-fluoroethyl)-1H-indole
SMILESFCCc1c[nH]c2cc(F)c(F)cc12
InChIInChI=1S/C10H8F3N/c11-2-1-6-5-14-10-4-9(13)8(12)3-7(6)10/h3-5,14H,1-2H2
InChIKeyVTIVYXPMIVTMGB-UHFFFAOYSA-N
XLogP2.96
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

3-(4-chlorobutyl)-5,6-difluoro-1H-indole
CID 19438843
2-(6-fluoro-1H-indol-3-yl)ethanamine;hydron
CID 121393685
(5,6-difluoro-1H-indol-3-yl)azanium
CID 156720643
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
2-[2-(6-chloro-5-fluoro-1H-indol-3-yl)ethyl]guanidine
CID 134604088
methyl 2-amino-3-(5,6-difluoro-1H-indol-3-yl)propanoate
CID 166609513
1-(5,6-difluoro-1H-indol-3-yl)-N-methylhexan-2-amine
CID 166670459
3-ethyl-6-fluoro-5-methoxy-1H-indole
CID 22356057
2-[5-(2-fluoroethoxy)-1H-indol-3-yl]ethanamine
CID 71510843
(2S)-1-(5-fluoro-6-methyl-1H-indol-3-yl)propan-2-amine
CID 149406796
2-(5-chloro-1H-indol-3-yl)ethanamine chloride
CID 43829444
2-(5-bromo-1H-indol-3-yl)ethanamine;methane
CID 139467696

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-(2-fluoroethyl)-1H-indole?
The IUPAC name of 5,6-difluoro-3-(2-fluoroethyl)-1H-indole (CID 89153643) is 5,6-difluoro-3-(2-fluoroethyl)-1H-indole.
What is the SMILES notation for 5,6-difluoro-3-(2-fluoroethyl)-1H-indole?
The canonical SMILES for 5,6-difluoro-3-(2-fluoroethyl)-1H-indole is FCCc1c[nH]c2cc(F)c(F)cc12.
What is the InChIKey of 5,6-difluoro-3-(2-fluoroethyl)-1H-indole?
The InChIKey is VTIVYXPMIVTMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F3N/c11-2-1-6-5-14-10-4-9(13)8(12)3-7(6)10/h3-5,14H,1-2H2.
What are the key properties of 5,6-difluoro-3-(2-fluoroethyl)-1H-indole?
5,6-difluoro-3-(2-fluoroethyl)-1H-indole has a molecular weight of 199.17 g/mol, XLogP of 2.96, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-(2-fluoroethyl)-1H-indole is sourced from PubChem (CID 89153643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).