2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid

C12H15F2NO3 — CID 43803066

IUPAC2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
SMILESCN(C)C(C)(C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-12(10(16)17,15(2)3)8-6-4-5-7-9(8)18-11(13)14/h4-7,11H,1-3H3,(H,16,17)
InChIKeyZCNSZEBOSXMPRF-UHFFFAOYSA-N
MW259.25 g/mol
LogP2.15
Rot. Bonds5

About 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid

2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid (PubChem CID 43803066) has the molecular formula C12H15F2NO3 and a molecular weight of 259.25 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
PubChem CID43803066
Molecular FormulaC12H15F2NO3
Molecular Weight259.25 g/mol
Exact Mass259.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid
SMILESCN(C)C(C)(C(=O)O)c1ccccc1OC(F)F
InChIInChI=1S/C12H15F2NO3/c1-12(10(16)17,15(2)3)8-6-4-5-7-9(8)18-11(13)14/h4-7,11H,1-3H3,(H,16,17)
InChIKeyZCNSZEBOSXMPRF-UHFFFAOYSA-N
XLogP2.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.25
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[cyclopropyl(phenylmethoxycarbonyl)amino]-2-[2-(difluoromethoxy)phenyl]propanoic acid
CID 113235809
2-[2-(difluoromethoxy)phenyl]-2-pyrrolidin-1-ylpropanoic acid
CID 43803407
2-[1-[2-(difluoromethoxy)phenyl]ethyl-methylamino]-2-methylpropanoic acid
CID 65060590
2-(dimethylamino)-2-phenylpropanoic acid
CID 3613790
2-[2-(difluoromethoxy)phenyl]-2-(propan-2-ylamino)propanamide
CID 54918576
2-[acetyl(methyl)amino]-2-[2-(difluoromethoxy)phenyl]acetic acid
CID 63701407
2-[2-(difluoromethoxy)phenyl]-5-methyl-1,3-oxazole-4-carboxylic acid
CID 62233000
1-[2-(difluoromethoxy)phenyl]-2-phenylethanone
CID 61079927
2-[acetyl(methyl)amino]-2-(2-fluorophenyl)propanoic acid
CID 55232992
N-[6-(difluoromethoxy)-2,3-difluorophenyl]-N-methyl-2-phenylacetamide
CID 69114960
2-amino-N-[1-[2-(difluoromethoxy)phenyl]ethyl]-2-methylpropanamide;hydrochloride
CID 119285570
3-[2-(difluoromethoxy)phenyl]-2-fluorobut-2-enoic acid
CID 79728817

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid (CID 43803066) is 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid is CN(C)C(C)(C(=O)O)c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid?
The InChIKey is ZCNSZEBOSXMPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3/c1-12(10(16)17,15(2)3)8-6-4-5-7-9(8)18-11(13)14/h4-7,11H,1-3H3,(H,16,17).
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid?
2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid has a molecular weight of 259.25 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-2-(dimethylamino)propanoic acid is sourced from PubChem (CID 43803066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).