1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene

C16H14ClF3 — CID 91269035

IUPAC1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene
SMILESCCc1ccc(Cl)c(-c2cc(C)ccc2C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3/c1-3-11-5-7-15(17)13(9-11)12-8-10(2)4-6-14(12)16(18,19)20/h4-9H,3H2,1-2H3
InChIKeyVUICCVOPQGDOJR-UHFFFAOYSA-N
MW298.74 g/mol
LogP5.90
Rot. Bonds2

About 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene

1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene (PubChem CID 91269035) has the molecular formula C16H14ClF3 and a molecular weight of 298.74 g/mol. Its IUPAC name is 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene
PubChem CID91269035
Molecular FormulaC16H14ClF3
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene
SMILESCCc1ccc(Cl)c(-c2cc(C)ccc2C(F)(F)F)c1
InChIInChI=1S/C16H14ClF3/c1-3-11-5-7-15(17)13(9-11)12-8-10(2)4-6-14(12)16(18,19)20/h4-9H,3H2,1-2H3
InChIKeyVUICCVOPQGDOJR-UHFFFAOYSA-N
XLogP5.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.74
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene (CID 91269035) is 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene is CCc1ccc(Cl)c(-c2cc(C)ccc2C(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene?
The InChIKey is VUICCVOPQGDOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3/c1-3-11-5-7-15(17)13(9-11)12-8-10(2)4-6-14(12)16(18,19)20/h4-9H,3H2,1-2H3.
What are the key properties of 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene?
1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene has a molecular weight of 298.74 g/mol, XLogP of 5.90, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-ethyl-2-[5-methyl-2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 91269035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).