4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene

C19H13F3 — CID 170335427

IUPAC4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene
SMILESFC(F)(F)c1ccccc1C1=CC2=CCc3cccc(c32)C1
InChIInChI=1S/C19H13F3/c20-19(21,22)17-7-2-1-6-16(17)15-10-13-5-3-4-12-8-9-14(11-15)18(12)13/h1-7,9,11H,8,10H2
InChIKeyYXLAONVXCVWRPH-UHFFFAOYSA-N
MW298.31 g/mol
LogP5.28
Rot. Bonds1

About 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene

4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene (PubChem CID 170335427) has the molecular formula C19H13F3 and a molecular weight of 298.31 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene
PubChem CID170335427
Molecular FormulaC19H13F3
Molecular Weight298.31 g/mol
Exact Mass298.10
IUPAC Name4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene
SMILESFC(F)(F)c1ccccc1C1=CC2=CCc3cccc(c32)C1
InChIInChI=1S/C19H13F3/c20-19(21,22)17-7-2-1-6-16(17)15-10-13-5-3-4-12-8-9-14(11-15)18(12)13/h1-7,9,11H,8,10H2
InChIKeyYXLAONVXCVWRPH-UHFFFAOYSA-N
XLogP5.28
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.31
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene?
The IUPAC name of 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene (CID 170335427) is 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene.
What is the SMILES notation for 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene?
The canonical SMILES for 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene is FC(F)(F)c1ccccc1C1=CC2=CCc3cccc(c32)C1.
What is the InChIKey of 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene?
The InChIKey is YXLAONVXCVWRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13F3/c20-19(21,22)17-7-2-1-6-16(17)15-10-13-5-3-4-12-8-9-14(11-15)18(12)13/h1-7,9,11H,8,10H2.
What are the key properties of 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene?
4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene has a molecular weight of 298.31 g/mol, XLogP of 5.28, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)phenyl]-1,5-dihydroacenaphthylene is sourced from PubChem (CID 170335427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).