2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid

C10H7F5O4 — CID 170998746

IUPAC2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C10H7F5O4/c11-9(12)18-7-4-6(19-10(13,14)15)2-1-5(7)3-8(16)17/h1-2,4,9H,3H2,(H,16,17)
InChIKeyROLWPURISJSIJI-UHFFFAOYSA-N
MW286.15 g/mol
LogP2.81
Rot. Bonds5

About 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid

2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 170998746) has the molecular formula C10H7F5O4 and a molecular weight of 286.15 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
PubChem CID170998746
Molecular FormulaC10H7F5O4
Molecular Weight286.15 g/mol
Exact Mass286.03
IUPAC Name2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C10H7F5O4/c11-9(12)18-7-4-6(19-10(13,14)15)2-1-5(7)3-8(16)17/h1-2,4,9H,3H2,(H,16,17)
InChIKeyROLWPURISJSIJI-UHFFFAOYSA-N
XLogP2.81
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.15
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propanoic acid
CID 134621121
3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoic acid
CID 134621137
2-[2-cyano-3-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]acetic acid
CID 119018536
2-chloro-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]ethanone
CID 170997940
1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-1-one
CID 118808993
2-[4-ethoxy-2-(trifluoromethoxy)phenyl]acetic acid
CID 170999024
2-(difluoromethoxy)-5-(trifluoromethoxy)benzoyl chloride
CID 170997841
ethyl 3-[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]propanoate
CID 134632352
2-(difluoromethoxy)-4-(trifluoromethoxy)aniline
CID 134617226
[2-(difluoromethoxy)-5-(trifluoromethoxy)phenyl]methanamine
CID 167715263
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
CID 165350168
1-bromo-1-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]propan-2-one
CID 134615669

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid (CID 170998746) is 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid is O=C(O)Cc1ccc(OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is ROLWPURISJSIJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F5O4/c11-9(12)18-7-4-6(19-10(13,14)15)2-1-5(7)3-8(16)17/h1-2,4,9H,3H2,(H,16,17).
What are the key properties of 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid?
2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 286.15 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)-4-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 170998746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).