2-ethenyl-5-fluoro-1-methylindole

C11H10FN — CID 56833976

IUPAC2-ethenyl-5-fluoro-1-methylindole
SMILESC=Cc1cc2cc(F)ccc2n1C
InChIInChI=1S/C11H10FN/c1-3-10-7-8-6-9(12)4-5-11(8)13(10)2/h3-7H,1H2,2H3
InChIKeyHTVZWRVGAZGZMH-UHFFFAOYSA-N
MW175.21 g/mol
LogP2.96
Rot. Bonds1

About 2-ethenyl-5-fluoro-1-methylindole

2-ethenyl-5-fluoro-1-methylindole (PubChem CID 56833976) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 2-ethenyl-5-fluoro-1-methylindole.

Molecular Properties

Compound Name2-ethenyl-5-fluoro-1-methylindole
PubChem CID56833976
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name2-ethenyl-5-fluoro-1-methylindole
SMILESC=Cc1cc2cc(F)ccc2n1C
InChIInChI=1S/C11H10FN/c1-3-10-7-8-6-9(12)4-5-11(8)13(10)2/h3-7H,1H2,2H3
InChIKeyHTVZWRVGAZGZMH-UHFFFAOYSA-N
XLogP2.96
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.21
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-5-fluoro-1-methylindole?
The IUPAC name of 2-ethenyl-5-fluoro-1-methylindole (CID 56833976) is 2-ethenyl-5-fluoro-1-methylindole.
What is the SMILES notation for 2-ethenyl-5-fluoro-1-methylindole?
The canonical SMILES for 2-ethenyl-5-fluoro-1-methylindole is C=Cc1cc2cc(F)ccc2n1C.
What is the InChIKey of 2-ethenyl-5-fluoro-1-methylindole?
The InChIKey is HTVZWRVGAZGZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-3-10-7-8-6-9(12)4-5-11(8)13(10)2/h3-7H,1H2,2H3.
What are the key properties of 2-ethenyl-5-fluoro-1-methylindole?
2-ethenyl-5-fluoro-1-methylindole has a molecular weight of 175.21 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-5-fluoro-1-methylindole is sourced from PubChem (CID 56833976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).