2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid

C10H7ClF4O3 — CID 103372200

IUPAC2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(COc1ccc(F)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H7ClF4O3/c11-7-3-5(12)1-2-8(7)18-4-6(9(16)17)10(13,14)15/h1-3,6H,4H2,(H,16,17)
InChIKeyFIHPGSORYYUJST-UHFFFAOYSA-N
MW286.61 g/mol
LogP3.12
Rot. Bonds4

About 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid

2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid (PubChem CID 103372200) has the molecular formula C10H7ClF4O3 and a molecular weight of 286.61 g/mol. Its IUPAC name is 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid.

Molecular Properties

Compound Name2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
PubChem CID103372200
Molecular FormulaC10H7ClF4O3
Molecular Weight286.61 g/mol
Exact Mass286.00
IUPAC Name2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid
SMILESO=C(O)C(COc1ccc(F)cc1Cl)C(F)(F)F
InChIInChI=1S/C10H7ClF4O3/c11-7-3-5(12)1-2-8(7)18-4-6(9(16)17)10(13,14)15/h1-3,6H,4H2,(H,16,17)
InChIKeyFIHPGSORYYUJST-UHFFFAOYSA-N
XLogP3.12
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.61
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid 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-(2-chloro-4-fluorophenoxy)propan-2-ol
CID 65277724
3-(2-chloro-4-fluorophenoxy)propanoic acid
CID 16778332
2-chloro-2-(2-chloro-4-fluorophenoxy)acetic acid
CID 18317841
(E)-4-(2-chloro-4-fluorophenoxy)but-2-enoic acid
CID 62342499
2-[(2,6-dimethoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372216
2-[[2-(2-chloro-4-fluorophenoxy)acetyl]-methylamino]propanoic acid
CID 55097258
2-[(4-bromo-2-nitrophenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372356
3-chloro-4-[(2-chloro-4-fluorophenyl)methoxy]benzoic acid
CID 60651644
(2R)-1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 97085392
2-[(2,5-dibromo-4-methoxyphenoxy)methyl]-3,3,3-trifluoropropanoic acid
CID 103372362
1-(2-chloro-4-fluorophenoxy)-3-propan-2-yloxypropan-2-ol
CID 71943765
methyl 3-(2-chloro-4-fluorophenoxy)-2,2-dimethylpropanoate
CID 79622181

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The IUPAC name of 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid (CID 103372200) is 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid.
What is the SMILES notation for 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The canonical SMILES for 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid is O=C(O)C(COc1ccc(F)cc1Cl)C(F)(F)F.
What is the InChIKey of 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid?
The InChIKey is FIHPGSORYYUJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClF4O3/c11-7-3-5(12)1-2-8(7)18-4-6(9(16)17)10(13,14)15/h1-3,6H,4H2,(H,16,17).
What are the key properties of 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid?
2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid has a molecular weight of 286.61 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-4-fluorophenoxy)methyl]-3,3,3-trifluoropropanoic acid is sourced from PubChem (CID 103372200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).