methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate

C14H13F2NO2 — CID 91501243

IUPACmethyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(c1ccc[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO2/c1-14(13(18)19-2,12-4-3-7-17-12)10-6-5-9(15)8-11(10)16/h3-8,17H,1-2H3
InChIKeyBKCYFSMJSRELTG-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.77
Rot. Bonds3

About methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate

methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate (PubChem CID 91501243) has the molecular formula C14H13F2NO2 and a molecular weight of 265.26 g/mol. Its IUPAC name is methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
PubChem CID91501243
Molecular FormulaC14H13F2NO2
Molecular Weight265.26 g/mol
Exact Mass265.09
IUPAC Namemethyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate
SMILESCOC(=O)C(C)(c1ccc[nH]1)c1ccc(F)cc1F
InChIInChI=1S/C14H13F2NO2/c1-14(13(18)19-2,12-4-3-7-17-12)10-6-5-9(15)8-11(10)16/h3-8,17H,1-2H3
InChIKeyBKCYFSMJSRELTG-UHFFFAOYSA-N
XLogP2.77
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,4-difluorophenyl)-2-(methylamino)propanoate
CID 60787394
2-[(2,4-difluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899612
2-(2,4-difluorophenyl)-2-methoxypropanamide
CID 90905541
N-[1-(4-fluorophenyl)-1-(1H-pyrrol-2-yl)ethyl]acetamide
CID 122392240
2-(cyclopropylmethylamino)-2-(2,4-difluorophenyl)propanoic acid
CID 61001335
methyl 4-amino-3-(2,4-difluorophenyl)-3,4-dimethylpentanoate
CID 66097553
ethyl 4-amino-2-(2,4-difluorophenyl)-2-methylbutanoate
CID 117049865
methyl (2R)-2-acetamido-2-(2,5-difluorophenyl)propanoate
CID 52873787
2-[(4-fluorophenyl)methyl]-3-methoxy-2-methyl-3-oxopropanoic acid
CID 114899520
ethyl 2-(2,4-difluorophenyl)-2-(prop-2-ynylamino)propanoate
CID 62364969
1-(2,4-difluorophenyl)-1-(4-fluorophenyl)ethanol
CID 62802529
methyl (3S)-3-amino-3-(2,4-difluorophenyl)-2,2-dimethylpropanoate;hydrochloride
CID 171239168

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate?
The IUPAC name of methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate (CID 91501243) is methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate.
What is the SMILES notation for methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate?
The canonical SMILES for methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate is COC(=O)C(C)(c1ccc[nH]1)c1ccc(F)cc1F.
What is the InChIKey of methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate?
The InChIKey is BKCYFSMJSRELTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2NO2/c1-14(13(18)19-2,12-4-3-7-17-12)10-6-5-9(15)8-11(10)16/h3-8,17H,1-2H3.
What are the key properties of methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate?
methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate has a molecular weight of 265.26 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-difluorophenyl)-2-(1H-pyrrol-2-yl)propanoate is sourced from PubChem (CID 91501243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).