1-methyl-2-[3-(trifluoromethyl)phenyl]indole

C16H12F3N — CID 102182007

IUPAC1-methyl-2-[3-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2cccc(C(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C16H12F3N/c1-20-14-8-3-2-5-12(14)10-15(20)11-6-4-7-13(9-11)16(17,18)19/h2-10H,1H3
InChIKeyWKQUGCDJFNYDPK-UHFFFAOYSA-N
MW275.27 g/mol
LogP4.86
Rot. Bonds1

About 1-methyl-2-[3-(trifluoromethyl)phenyl]indole

1-methyl-2-[3-(trifluoromethyl)phenyl]indole (PubChem CID 102182007) has the molecular formula C16H12F3N and a molecular weight of 275.27 g/mol. Its IUPAC name is 1-methyl-2-[3-(trifluoromethyl)phenyl]indole.

Molecular Properties

Compound Name1-methyl-2-[3-(trifluoromethyl)phenyl]indole
PubChem CID102182007
Molecular FormulaC16H12F3N
Molecular Weight275.27 g/mol
Exact Mass275.09
IUPAC Name1-methyl-2-[3-(trifluoromethyl)phenyl]indole
SMILESCn1c(-c2cccc(C(F)(F)F)c2)cc2ccccc21
InChIInChI=1S/C16H12F3N/c1-20-14-8-3-2-5-12(14)10-15(20)11-6-4-7-13(9-11)16(17,18)19/h2-10H,1H3
InChIKeyWKQUGCDJFNYDPK-UHFFFAOYSA-N
XLogP4.86
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.27
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[3-(trifluoromethyl)phenyl]indole?
The IUPAC name of 1-methyl-2-[3-(trifluoromethyl)phenyl]indole (CID 102182007) is 1-methyl-2-[3-(trifluoromethyl)phenyl]indole.
What is the SMILES notation for 1-methyl-2-[3-(trifluoromethyl)phenyl]indole?
The canonical SMILES for 1-methyl-2-[3-(trifluoromethyl)phenyl]indole is Cn1c(-c2cccc(C(F)(F)F)c2)cc2ccccc21.
What is the InChIKey of 1-methyl-2-[3-(trifluoromethyl)phenyl]indole?
The InChIKey is WKQUGCDJFNYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N/c1-20-14-8-3-2-5-12(14)10-15(20)11-6-4-7-13(9-11)16(17,18)19/h2-10H,1H3.
What are the key properties of 1-methyl-2-[3-(trifluoromethyl)phenyl]indole?
1-methyl-2-[3-(trifluoromethyl)phenyl]indole has a molecular weight of 275.27 g/mol, XLogP of 4.86, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[3-(trifluoromethyl)phenyl]indole is sourced from PubChem (CID 102182007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).