1-ethyl-7-(trifluoromethyl)anthracene

C17H13F3 — CID 151657359

IUPAC1-ethyl-7-(trifluoromethyl)anthracene
SMILESCCc1cccc2cc3ccc(C(F)(F)F)cc3cc12
InChIInChI=1S/C17H13F3/c1-2-11-4-3-5-13-8-12-6-7-15(17(18,19)20)9-14(12)10-16(11)13/h3-10H,2H2,1H3
InChIKeyQVUHHAWTYPFWFZ-UHFFFAOYSA-N
MW274.29 g/mol
LogP5.57
Rot. Bonds1

About 1-ethyl-7-(trifluoromethyl)anthracene

1-ethyl-7-(trifluoromethyl)anthracene (PubChem CID 151657359) has the molecular formula C17H13F3 and a molecular weight of 274.29 g/mol. Its IUPAC name is 1-ethyl-7-(trifluoromethyl)anthracene.

Molecular Properties

Compound Name1-ethyl-7-(trifluoromethyl)anthracene
PubChem CID151657359
Molecular FormulaC17H13F3
Molecular Weight274.29 g/mol
Exact Mass274.10
IUPAC Name1-ethyl-7-(trifluoromethyl)anthracene
SMILESCCc1cccc2cc3ccc(C(F)(F)F)cc3cc12
InChIInChI=1S/C17H13F3/c1-2-11-4-3-5-13-8-12-6-7-15(17(18,19)20)9-14(12)10-16(11)13/h3-10H,2H2,1H3
InChIKeyQVUHHAWTYPFWFZ-UHFFFAOYSA-N
XLogP5.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.29
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-(trifluoromethyl)anthracene?
The IUPAC name of 1-ethyl-7-(trifluoromethyl)anthracene (CID 151657359) is 1-ethyl-7-(trifluoromethyl)anthracene.
What is the SMILES notation for 1-ethyl-7-(trifluoromethyl)anthracene?
The canonical SMILES for 1-ethyl-7-(trifluoromethyl)anthracene is CCc1cccc2cc3ccc(C(F)(F)F)cc3cc12.
What is the InChIKey of 1-ethyl-7-(trifluoromethyl)anthracene?
The InChIKey is QVUHHAWTYPFWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3/c1-2-11-4-3-5-13-8-12-6-7-15(17(18,19)20)9-14(12)10-16(11)13/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-7-(trifluoromethyl)anthracene?
1-ethyl-7-(trifluoromethyl)anthracene has a molecular weight of 274.29 g/mol, XLogP of 5.57, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-(trifluoromethyl)anthracene is sourced from PubChem (CID 151657359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).