2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid

C10H9F3O4 — CID 170997113

IUPAC2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C10H9F3O4/c1-16-7-4-2-3-6(5-8(14)15)9(7)17-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyNMYPHULAQGTAKX-UHFFFAOYSA-N
MW250.17 g/mol
LogP2.22
Rot. Bonds4

About 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid

2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid (PubChem CID 170997113) has the molecular formula C10H9F3O4 and a molecular weight of 250.17 g/mol. Its IUPAC name is 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
PubChem CID170997113
Molecular FormulaC10H9F3O4
Molecular Weight250.17 g/mol
Exact Mass250.05
IUPAC Name2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid
SMILESCOc1cccc(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C10H9F3O4/c1-16-7-4-2-3-6(5-8(14)15)9(7)17-10(11,12)13/h2-4H,5H2,1H3,(H,14,15)
InChIKeyNMYPHULAQGTAKX-UHFFFAOYSA-N
XLogP2.22
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.17
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(1,1-difluoroethyl)-3-methoxyphenyl]acetic acid
CID 84693330
2-[8-(trifluoromethoxy)naphthalen-1-yl]acetic acid
CID 118819095
methyl 2-[3-ethyl-2-(trifluoromethoxy)phenyl]acetate
CID 170999184
2-(3-acetyl-2-methoxyphenyl)acetic acid
CID 175626652
2-(3-tert-butyl-2-methoxyphenyl)acetic acid
CID 21199434
2-[3-methoxy-2-(thian-4-yloxy)phenyl]acetic acid
CID 117453873
2-[2-[(E)-2-ethenylbut-2-enoxy]-3-methoxyphenyl]acetic acid
CID 139576303
trimethylsilyl 2-(2,3-dimethoxyphenyl)acetate
CID 553370
methyl 2-[3-formyl-2-(trifluoromethoxy)phenyl]acetate
CID 170998201
1-[(2,3-dimethoxyphenyl)methyl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 55816924
2-[2-methoxy-3-(methoxymethyl)phenyl]acetic acid
CID 83884874
2-[7-methoxy-2-(trifluoromethyl)-1H-indol-3-yl]acetic acid
CID 84641801

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid (CID 170997113) is 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid is COc1cccc(CC(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid?
The InChIKey is NMYPHULAQGTAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3O4/c1-16-7-4-2-3-6(5-8(14)15)9(7)17-10(11,12)13/h2-4H,5H2,1H3,(H,14,15).
What are the key properties of 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid?
2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid has a molecular weight of 250.17 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(trifluoromethoxy)phenyl]acetic acid is sourced from PubChem (CID 170997113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).