5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole

C15H12F4N2 — CID 146286942

IUPAC5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(-c3cncc(F)c3C(F)(F)F)cc2C1
InChIInChI=1S/C15H12F4N2/c1-21-7-10-3-2-9(4-11(10)8-21)12-5-20-6-13(16)14(12)15(17,18)19/h2-6H,7-8H2,1H3
InChIKeyBATQBSJUZZCXCJ-UHFFFAOYSA-N
MW296.27 g/mol
LogP3.85
Rot. Bonds1

About 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole

5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole (PubChem CID 146286942) has the molecular formula C15H12F4N2 and a molecular weight of 296.27 g/mol. Its IUPAC name is 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole
PubChem CID146286942
Molecular FormulaC15H12F4N2
Molecular Weight296.27 g/mol
Exact Mass296.09
IUPAC Name5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(-c3cncc(F)c3C(F)(F)F)cc2C1
InChIInChI=1S/C15H12F4N2/c1-21-7-10-3-2-9(4-11(10)8-21)12-5-20-6-13(16)14(12)15(17,18)19/h2-6H,7-8H2,1H3
InChIKeyBATQBSJUZZCXCJ-UHFFFAOYSA-N
XLogP3.85
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole (CID 146286942) is 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole is CN1Cc2ccc(-c3cncc(F)c3C(F)(F)F)cc2C1.
What is the InChIKey of 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole?
The InChIKey is BATQBSJUZZCXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F4N2/c1-21-7-10-3-2-9(4-11(10)8-21)12-5-20-6-13(16)14(12)15(17,18)19/h2-6H,7-8H2,1H3.
What are the key properties of 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole?
5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole has a molecular weight of 296.27 g/mol, XLogP of 3.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-4-(trifluoromethyl)-3-pyridinyl]-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 146286942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).