1-[(4-fluorophenyl)methyl]-2-methylindole

C16H14FN — CID 3272016

IUPAC1-[(4-fluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-10H,11H2,1H3
InChIKeyMZJWCQYZGGMJOR-UHFFFAOYSA-N
MW239.29 g/mol
LogP4.14
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-2-methylindole

1-[(4-fluorophenyl)methyl]-2-methylindole (PubChem CID 3272016) has the molecular formula C16H14FN and a molecular weight of 239.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-2-methylindole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-2-methylindole
PubChem CID3272016
Molecular FormulaC16H14FN
Molecular Weight239.29 g/mol
Exact Mass239.11
IUPAC Name1-[(4-fluorophenyl)methyl]-2-methylindole
SMILESCc1cc2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C16H14FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-10H,11H2,1H3
InChIKeyMZJWCQYZGGMJOR-UHFFFAOYSA-N
XLogP4.14
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.29
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylindole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-2-methylindole (CID 3272016) is 1-[(4-fluorophenyl)methyl]-2-methylindole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-2-methylindole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-2-methylindole is Cc1cc2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-2-methylindole?
The InChIKey is MZJWCQYZGGMJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN/c1-12-10-14-4-2-3-5-16(14)18(12)11-13-6-8-15(17)9-7-13/h2-10H,11H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-2-methylindole?
1-[(4-fluorophenyl)methyl]-2-methylindole has a molecular weight of 239.29 g/mol, XLogP of 4.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-2-methylindole is sourced from PubChem (CID 3272016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).