1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole

C16H13ClFN — CID 103041474

IUPAC1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole
SMILESCc1ccc2ccn(Cc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H13ClFN/c1-11-2-4-13-6-7-19(16(13)8-11)10-12-3-5-15(18)14(17)9-12/h2-9H,10H2,1H3
InChIKeyYYAIDMDWXDALOY-UHFFFAOYSA-N
MW273.74 g/mol
LogP4.79
Rot. Bonds2

About 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole

1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole (PubChem CID 103041474) has the molecular formula C16H13ClFN and a molecular weight of 273.74 g/mol. Its IUPAC name is 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole.

Molecular Properties

Compound Name1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole
PubChem CID103041474
Molecular FormulaC16H13ClFN
Molecular Weight273.74 g/mol
Exact Mass273.07
IUPAC Name1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole
SMILESCc1ccc2ccn(Cc3ccc(F)c(Cl)c3)c2c1
InChIInChI=1S/C16H13ClFN/c1-11-2-4-13-6-7-19(16(13)8-11)10-12-3-5-15(18)14(17)9-12/h2-9H,10H2,1H3
InChIKeyYYAIDMDWXDALOY-UHFFFAOYSA-N
XLogP4.79
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.74
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole?
The IUPAC name of 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole (CID 103041474) is 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole.
What is the SMILES notation for 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole?
The canonical SMILES for 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole is Cc1ccc2ccn(Cc3ccc(F)c(Cl)c3)c2c1.
What is the InChIKey of 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole?
The InChIKey is YYAIDMDWXDALOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFN/c1-11-2-4-13-6-7-19(16(13)8-11)10-12-3-5-15(18)14(17)9-12/h2-9H,10H2,1H3.
What are the key properties of 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole?
1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole has a molecular weight of 273.74 g/mol, XLogP of 4.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-chloro-4-fluorophenyl)methyl]-6-methylindole is sourced from PubChem (CID 103041474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).