1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene

C15H13F3 — CID 19095059

IUPAC1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16,17)18/h3-10H,2H2,1H3
InChIKeyXYQKOTOONJNKNG-UHFFFAOYSA-N
MW250.26 g/mol
LogP4.93
Rot. Bonds2

About 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene

1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 19095059) has the molecular formula C15H13F3 and a molecular weight of 250.26 g/mol. Its IUPAC name is 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
PubChem CID19095059
Molecular FormulaC15H13F3
Molecular Weight250.26 g/mol
Exact Mass250.10
IUPAC Name1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C15H13F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16,17)18/h3-10H,2H2,1H3
InChIKeyXYQKOTOONJNKNG-UHFFFAOYSA-N
XLogP4.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene (CID 19095059) is 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene is CCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is XYQKOTOONJNKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3/c1-2-11-3-5-12(6-4-11)13-7-9-14(10-8-13)15(16,17)18/h3-10H,2H2,1H3.
What are the key properties of 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene?
1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 250.26 g/mol, XLogP of 4.93, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 19095059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).