2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile

C17H15FN2 — CID 163522740

IUPAC2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1ccc2c(c1)CCN2c1ccc(C#N)c(CF)c1
InChIInChI=1S/C17H15FN2/c1-12-2-5-17-13(8-12)6-7-20(17)16-4-3-14(11-19)15(9-16)10-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyDMFQFEQBEVYVBT-UHFFFAOYSA-N
MW266.32 g/mol
LogP4.03
Rot. Bonds2

About 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile

2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile (PubChem CID 163522740) has the molecular formula C17H15FN2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile.

Molecular Properties

Compound Name2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile
PubChem CID163522740
Molecular FormulaC17H15FN2
Molecular Weight266.32 g/mol
Exact Mass266.12
IUPAC Name2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile
SMILESCc1ccc2c(c1)CCN2c1ccc(C#N)c(CF)c1
InChIInChI=1S/C17H15FN2/c1-12-2-5-17-13(8-12)6-7-20(17)16-4-3-14(11-19)15(9-16)10-18/h2-5,8-9H,6-7,10H2,1H3
InChIKeyDMFQFEQBEVYVBT-UHFFFAOYSA-N
XLogP4.03
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The IUPAC name of 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile (CID 163522740) is 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile.
What is the SMILES notation for 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The canonical SMILES for 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile is Cc1ccc2c(c1)CCN2c1ccc(C#N)c(CF)c1.
What is the InChIKey of 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile?
The InChIKey is DMFQFEQBEVYVBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2/c1-12-2-5-17-13(8-12)6-7-20(17)16-4-3-14(11-19)15(9-16)10-18/h2-5,8-9H,6-7,10H2,1H3.
What are the key properties of 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile?
2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile has a molecular weight of 266.32 g/mol, XLogP of 4.03, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-4-(5-methyl-2,3-dihydroindol-1-yl)benzonitrile is sourced from PubChem (CID 163522740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).