ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate

C10H18FNO2 — CID 169131347

IUPACethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(C)[C@@H](CF)CCN1C
InChIInChI=1S/C10H18FNO2/c1-4-14-9(13)10(2)8(7-11)5-6-12(10)3/h8H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyVJQPWVZQZIQHKZ-PSASIEDQSA-N
MW203.26 g/mol
LogP1.23
Rot. Bonds3

About ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate

ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate (PubChem CID 169131347) has the molecular formula C10H18FNO2 and a molecular weight of 203.26 g/mol. Its IUPAC name is ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate.

Molecular Properties

Compound Nameethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate
PubChem CID169131347
Molecular FormulaC10H18FNO2
Molecular Weight203.26 g/mol
Exact Mass203.13
IUPAC Nameethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate
SMILESCCOC(=O)[C@@]1(C)[C@@H](CF)CCN1C
InChIInChI=1S/C10H18FNO2/c1-4-14-9(13)10(2)8(7-11)5-6-12(10)3/h8H,4-7H2,1-3H3/t8-,10-/m1/s1
InChIKeyVJQPWVZQZIQHKZ-PSASIEDQSA-N
XLogP1.23
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.26
LogP ≤ 51.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (4R)-1-tert-butyl-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134861852
methyl (2S,3S)-1-tert-butyl-3-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 134862802
Diethyl 2-methylpyrrolidine-1,2-dicarboxylate
CID 89807431
Methyl 1-tert-butyl-3,3,4-trifluoro-4-(trifluoromethyl)pyrrolidine-2-carboxylate
CID 23234954
Methyl 1-tert-butyl-3,4-difluoro-3,4-bis(trifluoromethyl)pyrrolidine-2-carboxylate
CID 23234958
methyl (4R)-4-fluoro-1,2-dimethylpyrrolidine-2-carboxylate
CID 118019715
Ethyl 1-methylidene-2-(2,2,2-trifluoroethyl)pyrrolidin-1-ium-2-carboxylate
CID 123631808
Ethyl 4,4-difluoro-1-(2-methylpropyl)pyrrolidine-2-carboxylate
CID 139322718
ethyl (2S)-4-fluoro-1,3-dimethylpyrrolidine-2-carboxylate
CID 144826822
methyl (2S,4R)-4-fluoro-1-(2-methoxyethyl)pyrrolidine-2-carboxylate
CID 146652870
Ethyl 4,4-difluoro-1-(2-methylpentan-3-yl)pyrrolidine-2-carboxylate
CID 153225332
methyl (2R,4S)-1-tert-butyl-4-fluoropyrrolidine-2-carboxylate
CID 155201090

Frequently Asked Questions

What is the IUPAC name of ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate?
The IUPAC name of ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate (CID 169131347) is ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate.
What is the SMILES notation for ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate?
The canonical SMILES for ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate is CCOC(=O)[C@@]1(C)[C@@H](CF)CCN1C.
What is the InChIKey of ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate?
The InChIKey is VJQPWVZQZIQHKZ-PSASIEDQSA-N. The full InChI is InChI=1S/C10H18FNO2/c1-4-14-9(13)10(2)8(7-11)5-6-12(10)3/h8H,4-7H2,1-3H3/t8-,10-/m1/s1.
What are the key properties of ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate?
ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate has a molecular weight of 203.26 g/mol, XLogP of 1.23, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,3S)-3-(fluoromethyl)-1,2-dimethylpyrrolidine-2-carboxylate is sourced from PubChem (CID 169131347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).