1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene

C17H17F3 — CID 134974260

IUPAC1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1cccc(-c2ccc(C(F)(F)F)cc2)c1CC
InChIInChI=1S/C17H17F3/c1-3-12-6-5-7-16(15(12)4-2)13-8-10-14(11-9-13)17(18,19)20/h5-11H,3-4H2,1-2H3
InChIKeyRXYCUYYKOGPLSE-UHFFFAOYSA-N
MW278.32 g/mol
LogP5.50
Rot. Bonds3

About 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene

1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 134974260) has the molecular formula C17H17F3 and a molecular weight of 278.32 g/mol. Its IUPAC name is 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene
PubChem CID134974260
Molecular FormulaC17H17F3
Molecular Weight278.32 g/mol
Exact Mass278.13
IUPAC Name1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene
SMILESCCc1cccc(-c2ccc(C(F)(F)F)cc2)c1CC
InChIInChI=1S/C17H17F3/c1-3-12-6-5-7-16(15(12)4-2)13-8-10-14(11-9-13)17(18,19)20/h5-11H,3-4H2,1-2H3
InChIKeyRXYCUYYKOGPLSE-UHFFFAOYSA-N
XLogP5.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.32
LogP ≤ 55.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene (CID 134974260) is 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene is CCc1cccc(-c2ccc(C(F)(F)F)cc2)c1CC.
What is the InChIKey of 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is RXYCUYYKOGPLSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3/c1-3-12-6-5-7-16(15(12)4-2)13-8-10-14(11-9-13)17(18,19)20/h5-11H,3-4H2,1-2H3.
What are the key properties of 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene?
1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 278.32 g/mol, XLogP of 5.50, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-diethyl-3-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134974260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).