methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate

C13H16FNO2 — CID 102568183

IUPACmethyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CC1c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-15-7-11(12(8-15)13(16)17-2)9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3
InChIKeyRECSJVDZPUFSAZ-UHFFFAOYSA-N
MW237.27 g/mol
LogP1.64
Rot. Bonds2

About methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate

methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate (PubChem CID 102568183) has the molecular formula C13H16FNO2 and a molecular weight of 237.27 g/mol. Its IUPAC name is methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
PubChem CID102568183
Molecular FormulaC13H16FNO2
Molecular Weight237.27 g/mol
Exact Mass237.12
IUPAC Namemethyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate
SMILESCOC(=O)C1CN(C)CC1c1cccc(F)c1
InChIInChI=1S/C13H16FNO2/c1-15-7-11(12(8-15)13(16)17-2)9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3
InChIKeyRECSJVDZPUFSAZ-UHFFFAOYSA-N
XLogP1.64
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.27
LogP ≤ 51.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 1-methyl-4-[3-(trifluoromethyl)phenyl]pyrrolidine-3-carboxylate
CID 134162390
(3S,4R)-4-(3-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 96623121
methyl 2-(3-fluorophenyl)azetidine-3-carboxylate
CID 105462663
(3R,4S)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962565
(3R,4R)-4-(3-methoxyphenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962564
methyl (4S)-1-methyl-3-phenylpiperidine-4-carboxylate
CID 163219557
methyl 4-(3-fluorophenyl)azetidine-2-carboxylate
CID 105462660
methyl 1-acetyl-4-(3-bromophenyl)pyrrolidine-3-carboxylate
CID 165395770
methyl (2S,3R)-3-(3-fluorophenyl)oxirane-2-carboxylate
CID 95212361
(3R,4R)-4-(3-chlorophenyl)-1-methylpyrrolidine-3-carboxylic acid
CID 99962566
methyl (3R,4R)-1-methyl-4-naphthalen-2-ylpiperidine-3-carboxylate
CID 10660645
methyl (2R,6S)-6-(3-fluorophenyl)piperidine-2-carboxylate
CID 24770518

Frequently Asked Questions

What is the IUPAC name of methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate?
The IUPAC name of methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate (CID 102568183) is methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate.
What is the SMILES notation for methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate?
The canonical SMILES for methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate is COC(=O)C1CN(C)CC1c1cccc(F)c1.
What is the InChIKey of methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate?
The InChIKey is RECSJVDZPUFSAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FNO2/c1-15-7-11(12(8-15)13(16)17-2)9-4-3-5-10(14)6-9/h3-6,11-12H,7-8H2,1-2H3.
What are the key properties of methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate?
methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate has a molecular weight of 237.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(3-fluorophenyl)-1-methylpyrrolidine-3-carboxylate is sourced from PubChem (CID 102568183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).