2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid

C11H11F3O4 — CID 63899374

IUPAC2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c12-11(13,14)9(15)6-18-8-3-1-2-7(4-8)5-10(16)17/h1-4,9,15H,5-6H2,(H,16,17)
InChIKeyIACNQKQQAOPXJT-UHFFFAOYSA-N
MW264.20 g/mol
LogP1.62
Rot. Bonds5

About 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid

2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid (PubChem CID 63899374) has the molecular formula C11H11F3O4 and a molecular weight of 264.20 g/mol. Its IUPAC name is 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid.

Molecular Properties

Compound Name2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
PubChem CID63899374
Molecular FormulaC11H11F3O4
Molecular Weight264.20 g/mol
Exact Mass264.06
IUPAC Name2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid
SMILESO=C(O)Cc1cccc(OCC(O)C(F)(F)F)c1
InChIInChI=1S/C11H11F3O4/c12-11(13,14)9(15)6-18-8-3-1-2-7(4-8)5-10(16)17/h1-4,9,15H,5-6H2,(H,16,17)
InChIKeyIACNQKQQAOPXJT-UHFFFAOYSA-N
XLogP1.62
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.20
LogP ≤ 51.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-(2-fluoro-2-methylpropoxy)phenyl]acetic acid
CID 84690473
2-[3-(2,2-difluoropropoxy)phenyl]acetic acid
CID 84693368
2-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]acetic acid
CID 106704428
3-(3-aminophenoxy)-1,1,1-trifluoropropan-2-ol
CID 63901721
3-[3-[(cyclopropylamino)methyl]phenoxy]-1,1,1-trifluoropropan-2-ol
CID 63900614
2-[3-(bromomethoxy)phenyl]acetic acid
CID 151200250
2-(3-fluorooxyphenyl)acetic acid
CID 69494655
2-[3-[4-[3-[3-(chloromethyl)phenoxy]-2-hydroxypropoxy]phenyl]phenyl]acetic acid
CID 68634375
2-[3-(2,2,2-trifluoroacetyl)oxyphenyl]acetic acid
CID 54390666
2-[3-(1,1-difluoro-2-methylpropoxy)phenyl]acetic acid
CID 70526950
2-[3-[4-[2-hydroxy-3-[4-(trifluoromethyl)phenoxy]propoxy]phenyl]phenyl]acetic acid
CID 59219327
2-[3-[2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]ethoxy]phenyl]acetic acid
CID 11619007

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid?
The IUPAC name of 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid (CID 63899374) is 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid.
What is the SMILES notation for 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid?
The canonical SMILES for 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid is O=C(O)Cc1cccc(OCC(O)C(F)(F)F)c1.
What is the InChIKey of 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid?
The InChIKey is IACNQKQQAOPXJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3O4/c12-11(13,14)9(15)6-18-8-3-1-2-7(4-8)5-10(16)17/h1-4,9,15H,5-6H2,(H,16,17).
What are the key properties of 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid?
2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid has a molecular weight of 264.20 g/mol, XLogP of 1.62, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,3,3-trifluoro-2-hydroxypropoxy)phenyl]acetic acid is sourced from PubChem (CID 63899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).