methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate

C16H20FNO3 — CID 58290712

IUPACmethyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(F)cc(C(C)C)c1
InChIInChI=1S/C16H20FNO3/c1-10(2)11-7-12(9-13(17)8-11)15(19)18-6-4-5-14(18)16(20)21-3/h7-10,14H,4-6H2,1-3H3
InChIKeyVWAGPGJNRLSFIR-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.73
Rot. Bonds3

About methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate

methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate (PubChem CID 58290712) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate
PubChem CID58290712
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Namemethyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate
SMILESCOC(=O)C1CCCN1C(=O)c1cc(F)cc(C(C)C)c1
InChIInChI=1S/C16H20FNO3/c1-10(2)11-7-12(9-13(17)8-11)15(19)18-6-4-5-14(18)16(20)21-3/h7-10,14H,4-6H2,1-3H3
InChIKeyVWAGPGJNRLSFIR-UHFFFAOYSA-N
XLogP2.73
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylic acid
CID 58290314
methyl 1-(3,5-difluorobenzoyl)piperidine-2-carboxylate
CID 115280018
methyl (2R)-1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 79835988
methyl 1-(3,4,5-trifluorobenzoyl)piperidine-2-carboxylate
CID 63188918
methyl (2S)-1-(3,5-dichlorobenzoyl)pyrrolidine-2-carboxylate
CID 2337414
methyl 1-(5-fluoropyridine-3-carbonyl)piperidine-2-carboxylate
CID 113256468
methyl 1-(3,5-dichloro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410150
methyl 1-(3-fluoro-4-methoxybenzoyl)pyrrolidine-2-carboxylate
CID 43410118
methyl (2R)-1-(3,5-dichlorobenzoyl)piperidine-2-carboxylate
CID 79833341
methyl 1-(2,5-difluorobenzoyl)pyrrolidine-2-carboxylate
CID 43410121
methyl (2S)-1-(4-propan-2-yloxybenzoyl)pyrrolidine-2-carboxylate
CID 908743
methyl 1-(3-amino-2,5-difluorobenzoyl)piperidine-2-carboxylate
CID 107120672

Frequently Asked Questions

What is the IUPAC name of methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate?
The IUPAC name of methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate (CID 58290712) is methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate.
What is the SMILES notation for methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate?
The canonical SMILES for methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate is COC(=O)C1CCCN1C(=O)c1cc(F)cc(C(C)C)c1.
What is the InChIKey of methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate?
The InChIKey is VWAGPGJNRLSFIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FNO3/c1-10(2)11-7-12(9-13(17)8-11)15(19)18-6-4-5-14(18)16(20)21-3/h7-10,14H,4-6H2,1-3H3.
What are the key properties of methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate?
methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate has a molecular weight of 293.34 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(3-fluoro-5-propan-2-ylbenzoyl)pyrrolidine-2-carboxylate is sourced from PubChem (CID 58290712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).