methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride

C8H15ClFNO2 — CID 155821412

IUPACmethyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCF)CCCN1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-12-7(11)8(4-5-9)3-2-6-10-8;/h10H,2-6H2,1H3;1H
InChIKeyUNMRSXZJHGYJMF-UHFFFAOYSA-N
MW211.66 g/mol
LogP1.06
Rot. Bonds3

About methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride

methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride (PubChem CID 155821412) has the molecular formula C8H15ClFNO2 and a molecular weight of 211.66 g/mol. Its IUPAC name is methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride.

Molecular Properties

Compound Namemethyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride
PubChem CID155821412
Molecular FormulaC8H15ClFNO2
Molecular Weight211.66 g/mol
Exact Mass211.08
IUPAC Namemethyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride
SMILESCOC(=O)C1(CCF)CCCN1.Cl
InChIInChI=1S/C8H14FNO2.ClH/c1-12-7(11)8(4-5-9)3-2-6-10-8;/h10H,2-6H2,1H3;1H
InChIKeyUNMRSXZJHGYJMF-UHFFFAOYSA-N
XLogP1.06
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.66
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride?
The IUPAC name of methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride (CID 155821412) is methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride.
What is the SMILES notation for methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride?
The canonical SMILES for methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride is COC(=O)C1(CCF)CCCN1.Cl.
What is the InChIKey of methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride?
The InChIKey is UNMRSXZJHGYJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FNO2.ClH/c1-12-7(11)8(4-5-9)3-2-6-10-8;/h10H,2-6H2,1H3;1H.
What are the key properties of methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride?
methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride has a molecular weight of 211.66 g/mol, XLogP of 1.06, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-fluoroethyl)pyrrolidine-2-carboxylate;hydrochloride is sourced from PubChem (CID 155821412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).