1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one

C14H10ClF3O2 — CID 63668636

IUPAC1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C14H10ClF3O2/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(7-12(11)15)14(16,17)18/h2-5,7H,6H2,1H3
InChIKeyCWYZBJQARKBINI-UHFFFAOYSA-N
MW302.68 g/mol
LogP4.75
Rot. Bonds3

About 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one

1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one (PubChem CID 63668636) has the molecular formula C14H10ClF3O2 and a molecular weight of 302.68 g/mol. Its IUPAC name is 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one.

Molecular Properties

Compound Name1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
PubChem CID63668636
Molecular FormulaC14H10ClF3O2
Molecular Weight302.68 g/mol
Exact Mass302.03
IUPAC Name1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one
SMILESCC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1
InChIInChI=1S/C14H10ClF3O2/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(7-12(11)15)14(16,17)18/h2-5,7H,6H2,1H3
InChIKeyCWYZBJQARKBINI-UHFFFAOYSA-N
XLogP4.75
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.68
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[5-(2,4,5-trichlorophenyl)furan-2-yl]propan-2-one
CID 63098551
ethyl 2-amino-3-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propanoate
CID 170884863
1-[5-[2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
CID 44551337
1-[5-(5-chloro-2-methylphenyl)furan-2-yl]propan-2-one
CID 63098910
1-[5-(4-tert-butylphenyl)furan-2-yl]propan-2-one
CID 55180156
1-[5-[2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl]furan-2-yl]propan-2-one
CID 44551336
1-[5-(2-bromo-3-chlorophenyl)furan-2-yl]propan-2-one
CID 103481074
1-[5-(4-bromo-2-methylphenyl)furan-2-yl]propan-2-one
CID 81288975
1-[5-(5-chloroquinolin-8-yl)furan-2-yl]propan-2-one
CID 116785285
1-(5-chlorofuran-2-yl)propan-2-one
CID 82652120
4-[2-chloro-5-(trifluoromethyl)phenyl]butan-2-one
CID 82297621
1-[5-(2,3,5,6-tetrafluorophenyl)furan-2-yl]propan-2-one
CID 107645707

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one?
The IUPAC name of 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one (CID 63668636) is 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one.
What is the SMILES notation for 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one?
The canonical SMILES for 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one is CC(=O)Cc1ccc(-c2ccc(C(F)(F)F)cc2Cl)o1.
What is the InChIKey of 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one?
The InChIKey is CWYZBJQARKBINI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3O2/c1-8(19)6-10-3-5-13(20-10)11-4-2-9(7-12(11)15)14(16,17)18/h2-5,7H,6H2,1H3.
What are the key properties of 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one?
1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one has a molecular weight of 302.68 g/mol, XLogP of 4.75, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-chloro-4-(trifluoromethyl)phenyl]furan-2-yl]propan-2-one is sourced from PubChem (CID 63668636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).