2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid

C10H7Cl2F3O3 — CID 102548296

IUPAC2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
SMILESO=C(O)COC(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3/c11-6-2-1-5(3-7(6)12)9(10(13,14)15)18-4-8(16)17/h1-3,9H,4H2,(H,16,17)
InChIKeySDHZUCHJDTVHGE-UHFFFAOYSA-N
MW303.06 g/mol
LogP3.70
Rot. Bonds4

About 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid

2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid (PubChem CID 102548296) has the molecular formula C10H7Cl2F3O3 and a molecular weight of 303.06 g/mol. Its IUPAC name is 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid.

Molecular Properties

Compound Name2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
PubChem CID102548296
Molecular FormulaC10H7Cl2F3O3
Molecular Weight303.06 g/mol
Exact Mass301.97
IUPAC Name2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
SMILESO=C(O)COC(c1ccc(Cl)c(Cl)c1)C(F)(F)F
InChIInChI=1S/C10H7Cl2F3O3/c11-6-2-1-5(3-7(6)12)9(10(13,14)15)18-4-8(16)17/h1-3,9H,4H2,(H,16,17)
InChIKeySDHZUCHJDTVHGE-UHFFFAOYSA-N
XLogP3.70
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.06
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(1S)-1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid
CID 97180306
2-[(1S)-1-(2,4-difluorophenyl)-2,2,2-trifluoroethoxy]acetic acid
CID 97180326
(3S)-3-(3,4-dichlorophenyl)-3-phenoxypropanoic acid
CID 145185611
3-(3,4-dichlorophenyl)-3-phenylpropanoic acid
CID 3018921
4-[2-(3,4-dichlorophenyl)propanoylamino]-4-methylpentanoic acid
CID 119204564
3-[[carboxy-(3,4-dichlorophenyl)methyl]amino]propanoic acid
CID 84746998
3-(3-chloro-4-methoxyphenyl)-4,4,4-trifluorobutanoic acid
CID 65021359
3-(3,4-dichlorophenyl)-3-(4-methoxyphenoxy)propanoic acid
CID 122508296
(3S)-3-(3-amino-4-chlorophenyl)-4,4,4-trifluorobutanoic acid
CID 90150629
2-[4-[1-[4-(carboxymethoxy)-3-chlorophenyl]-2,2,2-trichloroethyl]-2-chlorophenoxy]acetic acid
CID 11799620
3-[4-[1-(4-chlorophenyl)-2,2,2-trifluoroethoxy]phenyl]-3-hydroxypropanoic acid
CID 123277287
(3R,4R)-3-amino-4-(3,4-dichlorophenyl)-5-[(2-methylpropan-2-yl)oxy]-5-oxopentanoic acid
CID 29416345

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid?
The IUPAC name of 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid (CID 102548296) is 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid.
What is the SMILES notation for 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid?
The canonical SMILES for 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid is O=C(O)COC(c1ccc(Cl)c(Cl)c1)C(F)(F)F.
What is the InChIKey of 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid?
The InChIKey is SDHZUCHJDTVHGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2F3O3/c11-6-2-1-5(3-7(6)12)9(10(13,14)15)18-4-8(16)17/h1-3,9H,4H2,(H,16,17).
What are the key properties of 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid?
2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid has a molecular weight of 303.06 g/mol, XLogP of 3.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dichlorophenyl)-2,2,2-trifluoroethoxy]acetic acid is sourced from PubChem (CID 102548296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).