ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate

C10H7F5O3 — CID 171065916

IUPACethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(F)c(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F5O3/c1-2-17-9(16)5-3-6(11)8(7(12)4-5)18-10(13,14)15/h3-4H,2H2,1H3
InChIKeyIRIIVURCURQBFT-UHFFFAOYSA-N
MW270.15 g/mol
LogP3.04
Rot. Bonds3

About ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate

ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate (PubChem CID 171065916) has the molecular formula C10H7F5O3 and a molecular weight of 270.15 g/mol. Its IUPAC name is ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate.

Molecular Properties

Compound Nameethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
PubChem CID171065916
Molecular FormulaC10H7F5O3
Molecular Weight270.15 g/mol
Exact Mass270.03
IUPAC Nameethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate
SMILESCCOC(=O)c1cc(F)c(OC(F)(F)F)c(F)c1
InChIInChI=1S/C10H7F5O3/c1-2-17-9(16)5-3-6(11)8(7(12)4-5)18-10(13,14)15/h3-4H,2H2,1H3
InChIKeyIRIIVURCURQBFT-UHFFFAOYSA-N
XLogP3.04
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.15
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 3,5-difluoro-4-(trifluoromethoxy)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

ethyl 3-methoxy-5-(trifluoromethoxy)benzoate
CID 164894988
ethyl 4-amino-3,5-difluorobenzoate
CID 90041574
3,5-difluoro-4-(trifluoromethoxy)benzoic acid
CID 56973642
ethyl 3,5-difluoro-4-methylsulfanylbenzoate
CID 164893632
ethyl 4-bromo-3-fluoro-5-hydroxybenzoate
CID 131124712
ethyl 3-chlorosulfonyl-5-fluoro-4-methoxybenzoate
CID 43381750
ethyl 3-amino-4,5-difluorobenzoate
CID 130981577
5-ethyl-1,3-difluoro-2-(trifluoromethoxy)benzene
CID 56617585
ethyl 3-fluoro-4-(trifluoromethyl)benzoate
CID 46311389
[3-ethoxycarbonyl-5-(trifluoromethoxy)phenyl]boronic acid
CID 164894989
ethyl 3-formyl-5-(trifluoromethoxy)benzoate
CID 164892904
ethyl 3,5-difluoro-4-(iodoamino)benzoate
CID 175243105

Frequently Asked Questions

What is the IUPAC name of ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate?
The IUPAC name of ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate (CID 171065916) is ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate.
What is the SMILES notation for ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate?
The canonical SMILES for ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate is CCOC(=O)c1cc(F)c(OC(F)(F)F)c(F)c1.
What is the InChIKey of ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate?
The InChIKey is IRIIVURCURQBFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O3/c1-2-17-9(16)5-3-6(11)8(7(12)4-5)18-10(13,14)15/h3-4H,2H2,1H3.
What are the key properties of ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate?
ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate has a molecular weight of 270.15 g/mol, XLogP of 3.04, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3,5-difluoro-4-(trifluoromethoxy)benzoate is sourced from PubChem (CID 171065916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).