(2-chlorophenyl) 2-(trifluoromethyl)benzoate

C14H8ClF3O2 — CID 530825

IUPAC(2-chlorophenyl) 2-(trifluoromethyl)benzoate
SMILESO=C(Oc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O2/c15-11-7-3-4-8-12(11)20-13(19)9-5-1-2-6-10(9)14(16,17)18/h1-8H
InChIKeyDHZKNOQRWOHLKU-UHFFFAOYSA-N
MW300.66 g/mol
LogP4.58
Rot. Bonds2

About (2-chlorophenyl) 2-(trifluoromethyl)benzoate

(2-chlorophenyl) 2-(trifluoromethyl)benzoate (PubChem CID 530825) has the molecular formula C14H8ClF3O2 and a molecular weight of 300.66 g/mol. Its IUPAC name is (2-chlorophenyl) 2-(trifluoromethyl)benzoate.

Molecular Properties

Compound Name(2-chlorophenyl) 2-(trifluoromethyl)benzoate
PubChem CID530825
Molecular FormulaC14H8ClF3O2
Molecular Weight300.66 g/mol
Exact Mass300.02
IUPAC Name(2-chlorophenyl) 2-(trifluoromethyl)benzoate
SMILESO=C(Oc1ccccc1Cl)c1ccccc1C(F)(F)F
InChIInChI=1S/C14H8ClF3O2/c15-11-7-3-4-8-12(11)20-13(19)9-5-1-2-6-10(9)14(16,17)18/h1-8H
InChIKeyDHZKNOQRWOHLKU-UHFFFAOYSA-N
XLogP4.58
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze (2-chlorophenyl) 2-(trifluoromethyl)benzoate 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

4-Methylphenyl 4-chlorobenzoate
CID 223462
2-(2-(2-Chlorophenoxy)phenyl)acetic acid
CID 15581854
Benzoic acid, 4-chlorophenyl ester
CID 347761
2-[(2-Chlorophenoxy)methyl]benzoic acid
CID 847923
Methyl 3-chloro-4-[(3,4-difluorobenzyl)oxy]benzoate
CID 44570902
3-(4-(2-Chloro-4-(trifluoromethyl)phenoxy)phenyl)propanoic acid
CID 54584570
Phenyl 2-chlorobenzoate
CID 251433
4-[(2-Chlorophenoxy)methyl]benzoic acid
CID 661071
4-Methoxyphenyl 4-chlorobenzoate
CID 223330
2-(2,4-Dichlorophenoxy)ethyl benzoate
CID 7208
3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
CID 91685
2,4-Dichlorophenyl 2,4-dichlorobenzoate
CID 3119453

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl) 2-(trifluoromethyl)benzoate?
The IUPAC name of (2-chlorophenyl) 2-(trifluoromethyl)benzoate (CID 530825) is (2-chlorophenyl) 2-(trifluoromethyl)benzoate.
What is the SMILES notation for (2-chlorophenyl) 2-(trifluoromethyl)benzoate?
The canonical SMILES for (2-chlorophenyl) 2-(trifluoromethyl)benzoate is O=C(Oc1ccccc1Cl)c1ccccc1C(F)(F)F.
What is the InChIKey of (2-chlorophenyl) 2-(trifluoromethyl)benzoate?
The InChIKey is DHZKNOQRWOHLKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O2/c15-11-7-3-4-8-12(11)20-13(19)9-5-1-2-6-10(9)14(16,17)18/h1-8H.
What are the key properties of (2-chlorophenyl) 2-(trifluoromethyl)benzoate?
(2-chlorophenyl) 2-(trifluoromethyl)benzoate has a molecular weight of 300.66 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chlorophenyl) 2-(trifluoromethyl)benzoate is sourced from PubChem (CID 530825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).