5-fluoro-1H-indole;molecular fluorine

C8H6F3N — CID 123133815

IUPAC5-fluoro-1H-indole;molecular fluorine
SMILESFF.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.F2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2/h1-5,10H;
InChIKeyMLKIWYJGGMUYHG-UHFFFAOYSA-N
MW173.14 g/mol
LogP3.15
Rot. Bonds

About 5-fluoro-1H-indole;molecular fluorine

5-fluoro-1H-indole;molecular fluorine (PubChem CID 123133815) has the molecular formula C8H6F3N and a molecular weight of 173.14 g/mol. Its IUPAC name is 5-fluoro-1H-indole;molecular fluorine.

Molecular Properties

Compound Name5-fluoro-1H-indole;molecular fluorine
PubChem CID123133815
Molecular FormulaC8H6F3N
Molecular Weight173.14 g/mol
Exact Mass173.05
IUPAC Name5-fluoro-1H-indole;molecular fluorine
SMILESFF.Fc1ccc2[nH]ccc2c1
InChIInChI=1S/C8H6FN.F2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2/h1-5,10H;
InChIKeyMLKIWYJGGMUYHG-UHFFFAOYSA-N
XLogP3.15
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.14
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

ethane;5-fluoro-1H-indole;molecular hydrogen
CID 144540127
ethanamine;5-fluoro-1H-indole
CID 175177872
1-bromopropane;5-fluoro-1H-indole
CID 175237737
5-(2,4-difluorophenyl)-1H-indole
CID 10176960
(4-fluorophenyl)-(1H-indol-5-yl)methanol
CID 81444818
4-fluoro-1H-indole;5-fluoro-1H-indole;6-fluoro-1H-indole;1H-indole
CID 163967307
5-fluoro-1H-indole;pyridine;quinoline
CID 174896082
CID 58930948
CID 58930948
5-[[4-[(4-fluorophenyl)methyl]-1,4-diazepan-1-yl]methyl]-1H-indole
CID 56895741
N-[1-(4-fluorophenyl)ethenyl]-1H-indol-5-amine
CID 142618850
(4-fluoro-2-methylphenyl)-(1H-indol-5-yl)methanol
CID 81445082
6-fluoro-2-(1H-indol-5-yl)-1,3-benzothiazole
CID 142734680

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1H-indole;molecular fluorine?
The IUPAC name of 5-fluoro-1H-indole;molecular fluorine (CID 123133815) is 5-fluoro-1H-indole;molecular fluorine.
What is the SMILES notation for 5-fluoro-1H-indole;molecular fluorine?
The canonical SMILES for 5-fluoro-1H-indole;molecular fluorine is FF.Fc1ccc2[nH]ccc2c1.
What is the InChIKey of 5-fluoro-1H-indole;molecular fluorine?
The InChIKey is MLKIWYJGGMUYHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN.F2/c9-7-1-2-8-6(5-7)3-4-10-8;1-2/h1-5,10H;.
What are the key properties of 5-fluoro-1H-indole;molecular fluorine?
5-fluoro-1H-indole;molecular fluorine has a molecular weight of 173.14 g/mol, XLogP of 3.15, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1H-indole;molecular fluorine is sourced from PubChem (CID 123133815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).