methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate

C9H16FNO3 — CID 59995644

IUPACmethyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](C)[C@@H](OCCF)C1
InChIInChI=1S/C9H16FNO3/c1-7-5-11(9(12)13-2)6-8(7)14-4-3-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyLLBNSKLOMOHZLC-SFYZADRCSA-N
MW205.23 g/mol
LogP1.06
Rot. Bonds3

About methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate

methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate (PubChem CID 59995644) has the molecular formula C9H16FNO3 and a molecular weight of 205.23 g/mol. Its IUPAC name is methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate.

Molecular Properties

Compound Namemethyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate
PubChem CID59995644
Molecular FormulaC9H16FNO3
Molecular Weight205.23 g/mol
Exact Mass205.11
IUPAC Namemethyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate
SMILESCOC(=O)N1C[C@@H](C)[C@@H](OCCF)C1
InChIInChI=1S/C9H16FNO3/c1-7-5-11(9(12)13-2)6-8(7)14-4-3-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1
InChIKeyLLBNSKLOMOHZLC-SFYZADRCSA-N
XLogP1.06
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.23
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Methyl 3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate
CID 59995698
tert-butyl (3S)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 66803241
3-Trifluoromethoxy-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 75406341
tert-butyl (3R)-3-(2-fluoroethoxy)pyrrolidine-1-carboxylate
CID 86614896
tert-Butyl (3R)-3-(2,2,2-trifluoroethoxy)pyrrolidine-1-carboxylate
CID 86710530
Tert-butyl 4-butoxy-3,3-difluoropyrrolidine-1-carboxylate
CID 90166826
tert-butyl (3S,4R)-3-butoxy-4-(2,2-difluoroethyl)pyrrolidine-1-carboxylate
CID 90273937
tert-butyl (3S,4R)-3-butoxy-4-(2-fluoroethyl)pyrrolidine-1-carboxylate
CID 90273945
3-Ethoxy-3-trifluoromethyl-pyrrolidine-1-carboxylic acid tert-butyl ester
CID 102551479
(R)-1-Boc-3-(difluoromethoxy)pyrrolidine
CID 122487530
tert-butyl (3S)-3-(difluoromethoxy)pyrrolidine-1-carboxylate
CID 122487535
Tert-butyl 3-(difluoromethoxy)pyrrolidine-1-carboxylate
CID 122487544

Frequently Asked Questions

What is the IUPAC name of methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate?
The IUPAC name of methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate (CID 59995644) is methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate.
What is the SMILES notation for methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate?
The canonical SMILES for methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate is COC(=O)N1C[C@@H](C)[C@@H](OCCF)C1.
What is the InChIKey of methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate?
The InChIKey is LLBNSKLOMOHZLC-SFYZADRCSA-N. The full InChI is InChI=1S/C9H16FNO3/c1-7-5-11(9(12)13-2)6-8(7)14-4-3-10/h7-8H,3-6H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate?
methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate has a molecular weight of 205.23 g/mol, XLogP of 1.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (3R,4R)-3-(2-fluoroethoxy)-4-methylpyrrolidine-1-carboxylate is sourced from PubChem (CID 59995644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).