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

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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).