1-ethenyl-5-fluoro-2-methylindole

C11H10FN — CID 167276540

IUPAC1-ethenyl-5-fluoro-2-methylindole
SMILESC=Cn1c(C)cc2cc(F)ccc21
InChIInChI=1S/C11H10FN/c1-3-13-8(2)6-9-7-10(12)4-5-11(9)13/h3-7H,1H2,2H3
InChIKeyORWMIGWMRLTGEI-UHFFFAOYSA-N
MW175.21 g/mol
LogP3.19
Rot. Bonds1

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

1-ethenyl-5-fluoro-2-methylindole (PubChem CID 167276540) has the molecular formula C11H10FN and a molecular weight of 175.21 g/mol. Its IUPAC name is 1-ethenyl-5-fluoro-2-methylindole.

Molecular Properties

Compound Name1-ethenyl-5-fluoro-2-methylindole
PubChem CID167276540
Molecular FormulaC11H10FN
Molecular Weight175.21 g/mol
Exact Mass175.08
IUPAC Name1-ethenyl-5-fluoro-2-methylindole
SMILESC=Cn1c(C)cc2cc(F)ccc21
InChIInChI=1S/C11H10FN/c1-3-13-8(2)6-9-7-10(12)4-5-11(9)13/h3-7H,1H2,2H3
InChIKeyORWMIGWMRLTGEI-UHFFFAOYSA-N
XLogP3.19
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 ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-ethenyl-5-fluoro-1-methylindole
CID 56833976
5-fluoro-2-methylindole-1-carboxylic acid
CID 68895008
5-fluoro-1-[(4-methoxyphenyl)methyl]-2-methylindole
CID 174227358
5-fluoro-2-(methoxymethyl)-1-methylindole
CID 117176892
(5-fluoro-1-methylindol-2-yl)-trimethylsilane
CID 177390478
O-[(5-fluoro-1-methylindol-2-yl)methyl]hydroxylamine
CID 117195230
(E)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 71499289
2-(5-fluoro-1-methylindol-2-yl)ethanamine
CID 55253436
5-fluoro-2-methyl-1-(4-phenylmethoxyphenyl)indole
CID 69299373
(E)-3-(4-chloro-3-methoxyphenyl)-N-[2-(5-fluoro-2-methylindol-1-yl)ethyl]prop-2-enamide
CID 71499382
5-fluoro-1-hydroxyindole
CID 13415513
3,6-difluoro-1-methylnaphthalene
CID 138605249

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-5-fluoro-2-methylindole?
The IUPAC name of 1-ethenyl-5-fluoro-2-methylindole (CID 167276540) is 1-ethenyl-5-fluoro-2-methylindole.
What is the SMILES notation for 1-ethenyl-5-fluoro-2-methylindole?
The canonical SMILES for 1-ethenyl-5-fluoro-2-methylindole is C=Cn1c(C)cc2cc(F)ccc21.
What is the InChIKey of 1-ethenyl-5-fluoro-2-methylindole?
The InChIKey is ORWMIGWMRLTGEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10FN/c1-3-13-8(2)6-9-7-10(12)4-5-11(9)13/h3-7H,1H2,2H3.
What are the key properties of 1-ethenyl-5-fluoro-2-methylindole?
1-ethenyl-5-fluoro-2-methylindole has a molecular weight of 175.21 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-5-fluoro-2-methylindole is sourced from PubChem (CID 167276540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).