2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene

C19H15F3 — CID 174535991

IUPAC2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
SMILESFC(F)(F)C1CCc2c(ccc3c2ccc2ccccc23)C1
InChIInChI=1S/C19H15F3/c20-19(21,22)14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,8-9,14H,7,10-11H2
InChIKeyZKKQXCVERKGPLU-UHFFFAOYSA-N
MW300.32 g/mol
LogP5.66
Rot. Bonds

About 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene

2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene (PubChem CID 174535991) has the molecular formula C19H15F3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene.

Molecular Properties

Compound Name2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
PubChem CID174535991
Molecular FormulaC19H15F3
Molecular Weight300.32 g/mol
Exact Mass300.11
IUPAC Name2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene
SMILESFC(F)(F)C1CCc2c(ccc3c2ccc2ccccc23)C1
InChIInChI=1S/C19H15F3/c20-19(21,22)14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,8-9,14H,7,10-11H2
InChIKeyZKKQXCVERKGPLU-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.32
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene?
The IUPAC name of 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene (CID 174535991) is 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene.
What is the SMILES notation for 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene?
The canonical SMILES for 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene is FC(F)(F)C1CCc2c(ccc3c2ccc2ccccc23)C1.
What is the InChIKey of 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene?
The InChIKey is ZKKQXCVERKGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F3/c20-19(21,22)14-7-10-16-13(11-14)6-9-17-15-4-2-1-3-12(15)5-8-18(16)17/h1-6,8-9,14H,7,10-11H2.
What are the key properties of 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene?
2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene has a molecular weight of 300.32 g/mol, XLogP of 5.66, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)-1,2,3,4-tetrahydrochrysene is sourced from PubChem (CID 174535991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).