2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid

C14H16F2O3 — CID 175190331

IUPAC2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
SMILESC=Cc1ccc(OC(C)C(=O)O)c(C(F)(F)CC)c1
InChIInChI=1S/C14H16F2O3/c1-4-10-6-7-12(19-9(3)13(17)18)11(8-10)14(15,16)5-2/h4,6-9H,1,5H2,2-3H3,(H,17,18)
InChIKeyHEDDBQJNDGAZQT-UHFFFAOYSA-N
MW270.28 g/mol
LogP3.68
Rot. Bonds6

About 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid

2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid (PubChem CID 175190331) has the molecular formula C14H16F2O3 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid.

Molecular Properties

Compound Name2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
PubChem CID175190331
Molecular FormulaC14H16F2O3
Molecular Weight270.28 g/mol
Exact Mass270.11
IUPAC Name2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid
SMILESC=Cc1ccc(OC(C)C(=O)O)c(C(F)(F)CC)c1
InChIInChI=1S/C14H16F2O3/c1-4-10-6-7-12(19-9(3)13(17)18)11(8-10)14(15,16)5-2/h4,6-9H,1,5H2,2-3H3,(H,17,18)
InChIKeyHEDDBQJNDGAZQT-UHFFFAOYSA-N
XLogP3.68
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-2-[2-(1,1-difluoropropyl)-4-ethenyl-5-fluorophenoxy]propanoic acid
CID 155744379
(2S)-2-[2-(1,1-difluoropropyl)-4-ethynylphenoxy]propanoic acid
CID 155744400
amino (2S)-2-[2-(1,1-difluoropropyl)-4-ethenyl-5-fluorophenoxy]propanoate
CID 166048940
(2R)-2-(2-fluoro-4-formylphenoxy)propanoic acid
CID 107685172
2-[4-chloro-2-(1,1-difluoropropyl)phenoxy]-3-fluoropropanoic acid
CID 175204416
2-(4-formyl-2-prop-2-enylphenoxy)propanoic acid
CID 4763763
4-ethenyl-1-propoxy-2-(trifluoromethyl)benzene
CID 118268755
methyl (2S)-2-[2-(1,1-difluoropropyl)-4,5-difluorophenoxy]propanoate
CID 155428689
(2-tert-butyl-4-ethenylphenyl) hydrogen carbonate
CID 66588423
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
(2S)-2-[4-bromo-2-(1,1-difluoropropyl)phenoxy]-4-methoxybutanoic acid
CID 155744382
2-[2-methyl-4-(2-methylbutan-2-yl)phenoxy]propanoic acid
CID 71089254

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid?
The IUPAC name of 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid (CID 175190331) is 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid.
What is the SMILES notation for 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid?
The canonical SMILES for 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid is C=Cc1ccc(OC(C)C(=O)O)c(C(F)(F)CC)c1.
What is the InChIKey of 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid?
The InChIKey is HEDDBQJNDGAZQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2O3/c1-4-10-6-7-12(19-9(3)13(17)18)11(8-10)14(15,16)5-2/h4,6-9H,1,5H2,2-3H3,(H,17,18).
What are the key properties of 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid?
2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid has a molecular weight of 270.28 g/mol, XLogP of 3.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1-difluoropropyl)-4-ethenylphenoxy]propanoic acid is sourced from PubChem (CID 175190331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).