methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate

C13H13F2NO3 — CID 43410121

IUPACmethyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c1-19-13(18)11-3-2-6-16(11)12(17)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3
InChIKeyHNMNNZGZYYVUDY-UHFFFAOYSA-N
MW269.25 g/mol
LogP1.74
Rot. Bonds2

About methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate

methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate (PubChem CID 43410121) has the molecular formula C13H13F2NO3 and a molecular weight of 269.25 g/mol. Its IUPAC name is methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
PubChem CID43410121
Molecular FormulaC13H13F2NO3
Molecular Weight269.25 g/mol
Exact Mass269.09
IUPAC Namemethyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(F)ccc1F
InChIInChI=1S/C13H13F2NO3/c1-19-13(18)11-3-2-6-16(11)12(17)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3
InChIKeyHNMNNZGZYYVUDY-UHFFFAOYSA-N
XLogP1.74
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.25
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-(5-chloro-2-fluorobenzoyl)piperidine-2-carboxylate
CID 51076036
[(2S)-1-(2,5-difluorobenzoyl)pyrrolidin-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 94161022
methyl 1-(3-amino-2,5-difluorobenzoyl)piperidine-2-carboxylate
CID 107120672
methyl 1-(2-fluoro-4-nitrobenzoyl)pyrrolidine-2-carboxylate
CID 61060212
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl 1-(5-amino-2-fluoro-3-methylbenzoyl)pyrrolidine-2-carboxylate
CID 103295910
methyl 1-(2-methyl-5-methylsulfanylbenzoyl)pyrrolidine-2-carboxylate
CID 43423145
methyl (2R)-1-(5-chloro-2-methoxybenzoyl)piperidine-2-carboxylate
CID 79835628
methyl (2R)-1-[(2,4-difluorophenyl)carbamoyl]piperidine-2-carboxylate
CID 115536165
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate (CID 43410121) is methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(F)ccc1F.
What is the InChIKey of methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is HNMNNZGZYYVUDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO3/c1-19-13(18)11-3-2-6-16(11)12(17)9-7-8(14)4-5-10(9)15/h4-5,7,11H,2-3,6H2,1H3.
What are the key properties of methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 269.25 g/mol, XLogP of 1.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 43410121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).