methyl 2-(2,5-difluorophenyl)propanoate

C10H10F2O2 — CID 62801922

IUPACmethyl 2-(2,5-difluorophenyl)propanoate
SMILESCOC(=O)C(C)c1cc(F)ccc1F
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14-2)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3
InChIKeyNYYBWNOZWOZRND-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.24
Rot. Bonds2

About methyl 2-(2,5-difluorophenyl)propanoate

methyl 2-(2,5-difluorophenyl)propanoate (PubChem CID 62801922) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is methyl 2-(2,5-difluorophenyl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,5-difluorophenyl)propanoate
PubChem CID62801922
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Namemethyl 2-(2,5-difluorophenyl)propanoate
SMILESCOC(=O)C(C)c1cc(F)ccc1F
InChIInChI=1S/C10H10F2O2/c1-6(10(13)14-2)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3
InChIKeyNYYBWNOZWOZRND-UHFFFAOYSA-N
XLogP2.24
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl (2S)-2-amino-2-(2,5-difluorophenyl)acetate
CID 51888842
2-(2,5-difluorophenyl)propanamide
CID 141213802
methyl 2-(4-fluoro-2-hydroxyphenyl)propanoate
CID 57447177
methyl (2S)-2-(2,5-difluoro-4-methylphenyl)propanoate
CID 124636879
(2S)-2-(2,5-difluorophenyl)propanoic acid
CID 93182242
methyl 2-(2-fluoro-5-nitrophenyl)propanoate
CID 151047481
methyl 2-(2-bromo-5-fluorophenyl)-2-hydroxyacetate
CID 103946884
methyl 2-(6-fluoronaphthalen-2-yl)propanoate
CID 70591707
methyl 2-(2,5-difluorophenyl)-2-(2,2,2-trifluoroethylamino)acetate
CID 54892899
methyl 2-(2,5-difluorophenyl)-2-(prop-2-ynylamino)acetate
CID 55063341
methyl (3R)-3-amino-3-(2,5-difluorophenyl)propanoate;hydrochloride
CID 171247795
methyl (2S)-3-[[(1S)-1-(2,5-difluorophenyl)ethyl]-methylsulfamoyl]-2-methylpropanoate
CID 124588411

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,5-difluorophenyl)propanoate?
The IUPAC name of methyl 2-(2,5-difluorophenyl)propanoate (CID 62801922) is methyl 2-(2,5-difluorophenyl)propanoate.
What is the SMILES notation for methyl 2-(2,5-difluorophenyl)propanoate?
The canonical SMILES for methyl 2-(2,5-difluorophenyl)propanoate is COC(=O)C(C)c1cc(F)ccc1F.
What is the InChIKey of methyl 2-(2,5-difluorophenyl)propanoate?
The InChIKey is NYYBWNOZWOZRND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-6(10(13)14-2)8-5-7(11)3-4-9(8)12/h3-6H,1-2H3.
What are the key properties of methyl 2-(2,5-difluorophenyl)propanoate?
methyl 2-(2,5-difluorophenyl)propanoate has a molecular weight of 200.18 g/mol, XLogP of 2.24, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,5-difluorophenyl)propanoate is sourced from PubChem (CID 62801922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).