2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid

C14H10F2O4 — CID 43651840

IUPAC2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
SMILESO=C(O)C(F)(F)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10F2O4/c15-14(16,13(17)18)20-12-8-6-11(7-9-12)19-10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyDCOFOGRSIRQUSV-UHFFFAOYSA-N
MW280.23 g/mol
LogP3.54
Rot. Bonds5

About 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid

2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid (PubChem CID 43651840) has the molecular formula C14H10F2O4 and a molecular weight of 280.23 g/mol. Its IUPAC name is 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid.

Molecular Properties

Compound Name2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
PubChem CID43651840
Molecular FormulaC14H10F2O4
Molecular Weight280.23 g/mol
Exact Mass280.05
IUPAC Name2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid
SMILESO=C(O)C(F)(F)Oc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C14H10F2O4/c15-14(16,13(17)18)20-12-8-6-11(7-9-12)19-10-4-2-1-3-5-10/h1-9H,(H,17,18)
InChIKeyDCOFOGRSIRQUSV-UHFFFAOYSA-N
XLogP3.54
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.23
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-2-phenoxyacetamide
CID 66930473
4-phenoxybenzoic acid;hydrochloride
CID 70385625
2,2-difluoro-2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-hydroxyphenyl)propan-2-yl]phenoxy]acetic acid
CID 164747113
2,2-dibromo-2-phenoxyacetic acid
CID 154192322
4-(4-phenoxyphenoxy)benzoyl fluoride
CID 19017949
2,2-difluoro-2-[4-(2-methoxyethyl)phenoxy]acetic acid
CID 43651958
2,2-difluoro-2-[2-(trifluoromethyl)phenoxy]acetic acid
CID 43651852
3,3,3-trifluoro-1-(4-phenoxyphenyl)propan-1-one
CID 43337660
2,2-difluoro-1-(4-fluorophenyl)-2-phenoxyethanone
CID 103596177
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-phenoxybenzene
CID 154271060
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
2,2-difluoro-2-[(6-methyl-3-pyridinyl)oxy]acetic acid
CID 62074087

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid?
The IUPAC name of 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid (CID 43651840) is 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid.
What is the SMILES notation for 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid?
The canonical SMILES for 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid is O=C(O)C(F)(F)Oc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid?
The InChIKey is DCOFOGRSIRQUSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O4/c15-14(16,13(17)18)20-12-8-6-11(7-9-12)19-10-4-2-1-3-5-10/h1-9H,(H,17,18).
What are the key properties of 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid?
2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid has a molecular weight of 280.23 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-2-(4-phenoxyphenoxy)acetic acid is sourced from PubChem (CID 43651840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).