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

C16H10F6O3 — CID 118803810

IUPAC2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O3/c17-15(18,19)12-7-9(5-6-10(12)8-14(23)24)11-3-1-2-4-13(11)25-16(20,21)22/h1-7H,8H2,(H,23,24)
InChIKeyMNCNPPIAMUFZBI-UHFFFAOYSA-N
MW364.24 g/mol
LogP4.90
Rot. Bonds4

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

2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid (PubChem CID 118803810) has the molecular formula C16H10F6O3 and a molecular weight of 364.24 g/mol. Its IUPAC name is 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
PubChem CID118803810
Molecular FormulaC16H10F6O3
Molecular Weight364.24 g/mol
Exact Mass364.05
IUPAC Name2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C16H10F6O3/c17-15(18,19)12-7-9(5-6-10(12)8-14(23)24)11-3-1-2-4-13(11)25-16(20,21)22/h1-7H,8H2,(H,23,24)
InChIKeyMNCNPPIAMUFZBI-UHFFFAOYSA-N
XLogP4.90
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.24
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzoic acid
CID 118831979
2-[2-[2-(trifluoromethoxy)phenyl]-6-(trifluoromethyl)phenyl]acetic acid
CID 118990950
4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)aniline
CID 118805901
[2-(difluoromethoxy)-4-[2-(trifluoromethoxy)phenyl]phenyl]methanol
CID 171382948
1-(chloromethyl)-2-fluoro-4-[2-(trifluoromethoxy)phenyl]benzene
CID 118850748
2-[2,6-bis[2-(trifluoromethoxy)phenyl]-4-pyridinyl]acetic acid
CID 134618210
2-[5-fluoro-2-[2-(trifluoromethoxy)phenyl]-3-pyridinyl]acetic acid
CID 133089297
2-[2-chloro-4-[2-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 134625865
2-methoxy-5-[2-(trifluoromethoxy)phenyl]benzoic acid
CID 134628353
4-[2-(trifluoromethoxy)phenyl]pyridine-2-carboxylic acid
CID 134627368
5-[2-(trifluoromethoxy)phenyl]-3-(trifluoromethyl)-1H-pyridin-2-one
CID 133091706
2-[3-[2-(trifluoromethoxy)phenyl]-5-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134621231

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The IUPAC name of 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid (CID 118803810) is 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid.
What is the SMILES notation for 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The canonical SMILES for 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid is O=C(O)Cc1ccc(-c2ccccc2OC(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
The InChIKey is MNCNPPIAMUFZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F6O3/c17-15(18,19)12-7-9(5-6-10(12)8-14(23)24)11-3-1-2-4-13(11)25-16(20,21)22/h1-7H,8H2,(H,23,24).
What are the key properties of 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid?
2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid has a molecular weight of 364.24 g/mol, XLogP of 4.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)phenyl]acetic acid is sourced from PubChem (CID 118803810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).