(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid

C10H10F2O3 — CID 59456425

IUPAC(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
SMILESC[C@H](COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIGYUKJVQKMSLTL-ZCFIWIBFSA-N
MW216.18 g/mol
LogP2.06
Rot. Bonds4

About (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid

(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid (PubChem CID 59456425) has the molecular formula C10H10F2O3 and a molecular weight of 216.18 g/mol. Its IUPAC name is (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
PubChem CID59456425
Molecular FormulaC10H10F2O3
Molecular Weight216.18 g/mol
Exact Mass216.06
IUPAC Name(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid
SMILESC[C@H](COc1ccc(F)cc1F)C(=O)O
InChIInChI=1S/C10H10F2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1
InChIKeyIGYUKJVQKMSLTL-ZCFIWIBFSA-N
XLogP2.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.18
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(2,4-difluorophenoxy)methyl]-4-methylpentanoic acid
CID 112509119
(2R)-3-(2,4-difluorophenoxy)-2-[(2,2,2-trifluoroacetyl)amino]propanoic acid
CID 59280440
(2S)-2-(2,4-difluorophenoxy)propanoic acid
CID 7268787
1-[1-(2,4-difluorophenoxy)propan-2-yl]-3-propan-2-ylurea
CID 47377617
5-[[2-(2,4-difluorophenoxy)acetyl]amino]-2-methylpentanoic acid
CID 104682587
2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-methoxypropanoic acid
CID 81077351
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-4-methylpentanoic acid
CID 78975765
methyl 3-(2,4-difluorophenoxy)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
CID 118862794
(2R)-2-[[2-(2,4-difluorophenoxy)acetyl]amino]-3-hydroxypropanoic acid
CID 80749171
3-(2-methoxyphenoxy)-2-methylpropanoic acid
CID 43537701
methyl 2-(2,4-difluorophenoxy)acetate
CID 23434554
3-(2,4-dibromophenoxy)-2-methylpropanoic acid
CID 43538016

Frequently Asked Questions

What is the IUPAC name of (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid?
The IUPAC name of (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid (CID 59456425) is (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid.
What is the SMILES notation for (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid?
The canonical SMILES for (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid is C[C@H](COc1ccc(F)cc1F)C(=O)O.
What is the InChIKey of (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid?
The InChIKey is IGYUKJVQKMSLTL-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H10F2O3/c1-6(10(13)14)5-15-9-3-2-7(11)4-8(9)12/h2-4,6H,5H2,1H3,(H,13,14)/t6-/m1/s1.
What are the key properties of (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid?
(2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid has a molecular weight of 216.18 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(2,4-difluorophenoxy)-2-methylpropanoic acid is sourced from PubChem (CID 59456425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).