2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid

C10H6F6O3 — CID 170999461

IUPAC2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C10H6F6O3/c11-9(12,13)6-1-2-7(19-10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)
InChIKeyUUXRJFBZNACAJR-UHFFFAOYSA-N
MW288.14 g/mol
LogP3.23
Rot. Bonds3

About 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid

2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid (PubChem CID 170999461) has the molecular formula C10H6F6O3 and a molecular weight of 288.14 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
PubChem CID170999461
Molecular FormulaC10H6F6O3
Molecular Weight288.14 g/mol
Exact Mass288.02
IUPAC Name2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1cc(C(F)(F)F)ccc1OC(F)(F)F
InChIInChI=1S/C10H6F6O3/c11-9(12,13)6-1-2-7(19-10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18)
InChIKeyUUXRJFBZNACAJR-UHFFFAOYSA-N
XLogP3.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.14
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetic acid
CID 82262840
methyl 2-[2-(trifluoromethoxy)-4-(trifluoromethyl)phenyl]acetate
CID 170999571
2-[2-(methoxymethyl)-5-(trifluoromethyl)phenyl]acetic acid
CID 91883910
2-(trifluoromethoxy)-5-(trifluoromethyl)benzenethiol
CID 170999264
2-[4-bromo-2-(trifluoromethoxy)phenyl]acetic acid
CID 68846463
4-[2-methoxy-5-(trifluoromethyl)phenyl]butanoic acid
CID 82262809
methyl 2-[2-ethoxy-5-(trifluoromethyl)phenyl]acetate
CID 82646434
2-[4-iodo-3-(trifluoromethoxy)phenyl]acetic acid
CID 170998285
[2-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)phenyl]methanol
CID 172649054
2,2-difluoro-N-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]propanamide
CID 169302931
1-ethoxy-2-(trifluoromethoxy)-4-(trifluoromethyl)benzene
CID 170999647
2-[2-butyl-5-(trifluoromethyl)phenyl]acetic acid
CID 73333008

Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid (CID 170999461) is 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1cc(C(F)(F)F)ccc1OC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is UUXRJFBZNACAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F6O3/c11-9(12,13)6-1-2-7(19-10(14,15)16)5(3-6)4-8(17)18/h1-3H,4H2,(H,17,18).
What are the key properties of 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid?
2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 288.14 g/mol, XLogP of 3.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)-5-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 170999461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).