1-[4-(trifluoromethyl)phenyl]isoquinoline

C16H10F3N — CID 12674520

IUPAC1-[4-(trifluoromethyl)phenyl]isoquinoline
SMILESFC(F)(F)c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C16H10F3N/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-10H
InChIKeyGVPOXQWXNHAESS-UHFFFAOYSA-N
MW273.26 g/mol
LogP4.92
Rot. Bonds1

About 1-[4-(trifluoromethyl)phenyl]isoquinoline

1-[4-(trifluoromethyl)phenyl]isoquinoline (PubChem CID 12674520) has the molecular formula C16H10F3N and a molecular weight of 273.26 g/mol. Its IUPAC name is 1-[4-(trifluoromethyl)phenyl]isoquinoline.

Molecular Properties

Compound Name1-[4-(trifluoromethyl)phenyl]isoquinoline
PubChem CID12674520
Molecular FormulaC16H10F3N
Molecular Weight273.26 g/mol
Exact Mass273.08
IUPAC Name1-[4-(trifluoromethyl)phenyl]isoquinoline
SMILESFC(F)(F)c1ccc(-c2nccc3ccccc23)cc1
InChIInChI=1S/C16H10F3N/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-10H
InChIKeyGVPOXQWXNHAESS-UHFFFAOYSA-N
XLogP4.92
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.26
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(trifluoromethyl)phenyl]isoquinoline?
The IUPAC name of 1-[4-(trifluoromethyl)phenyl]isoquinoline (CID 12674520) is 1-[4-(trifluoromethyl)phenyl]isoquinoline.
What is the SMILES notation for 1-[4-(trifluoromethyl)phenyl]isoquinoline?
The canonical SMILES for 1-[4-(trifluoromethyl)phenyl]isoquinoline is FC(F)(F)c1ccc(-c2nccc3ccccc23)cc1.
What is the InChIKey of 1-[4-(trifluoromethyl)phenyl]isoquinoline?
The InChIKey is GVPOXQWXNHAESS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N/c17-16(18,19)13-7-5-12(6-8-13)15-14-4-2-1-3-11(14)9-10-20-15/h1-10H.
What are the key properties of 1-[4-(trifluoromethyl)phenyl]isoquinoline?
1-[4-(trifluoromethyl)phenyl]isoquinoline has a molecular weight of 273.26 g/mol, XLogP of 4.92, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(trifluoromethyl)phenyl]isoquinoline is sourced from PubChem (CID 12674520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).