2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane

C14H14ClF3O — CID 145085722

IUPAC2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane
SMILESCC.Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8ClF3O.C2H6/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16;1-2/h2-6H,1H3;1-2H3
InChIKeyIEIRMZHNZPCYBS-UHFFFAOYSA-N
MW290.71 g/mol
LogP5.95
Rot. Bonds1

About 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane

2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane (PubChem CID 145085722) has the molecular formula C14H14ClF3O and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane.

Molecular Properties

Compound Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane
PubChem CID145085722
Molecular FormulaC14H14ClF3O
Molecular Weight290.71 g/mol
Exact Mass290.07
IUPAC Name2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane
SMILESCC.Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1
InChIInChI=1S/C12H8ClF3O.C2H6/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16;1-2/h2-6H,1H3;1-2H3
InChIKeyIEIRMZHNZPCYBS-UHFFFAOYSA-N
XLogP5.95
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500290.71
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane?
The IUPAC name of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane (CID 145085722) is 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane.
What is the SMILES notation for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane?
The canonical SMILES for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane is CC.Cc1ccc(-c2ccc(Cl)c(C(F)(F)F)c2)o1.
What is the InChIKey of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane?
The InChIKey is IEIRMZHNZPCYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClF3O.C2H6/c1-7-2-5-11(17-7)8-3-4-10(13)9(6-8)12(14,15)16;1-2/h2-6H,1H3;1-2H3.
What are the key properties of 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane?
2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane has a molecular weight of 290.71 g/mol, XLogP of 5.95, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-3-(trifluoromethyl)phenyl]-5-methylfuran;ethane is sourced from PubChem (CID 145085722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).