(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride

C6H13ClFNO — CID 146049396

IUPAC(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride
SMILESCO[C@H]1CN[C@@H](CF)C1.Cl
InChIInChI=1S/C6H12FNO.ClH/c1-9-6-2-5(3-7)8-4-6;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyHSGPJXMRKQZAJH-KGZKBUQUSA-N
MW169.63 g/mol
LogP0.75
Rot. Bonds2

About (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride

(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride (PubChem CID 146049396) has the molecular formula C6H13ClFNO and a molecular weight of 169.63 g/mol. Its IUPAC name is (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride
PubChem CID146049396
Molecular FormulaC6H13ClFNO
Molecular Weight169.63 g/mol
Exact Mass169.07
IUPAC Name(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride
SMILESCO[C@H]1CN[C@@H](CF)C1.Cl
InChIInChI=1S/C6H12FNO.ClH/c1-9-6-2-5(3-7)8-4-6;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m1./s1
InChIKeyHSGPJXMRKQZAJH-KGZKBUQUSA-N
XLogP0.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.63
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride?
The IUPAC name of (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride (CID 146049396) is (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride.
What is the SMILES notation for (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride?
The canonical SMILES for (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride is CO[C@H]1CN[C@@H](CF)C1.Cl.
What is the InChIKey of (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride?
The InChIKey is HSGPJXMRKQZAJH-KGZKBUQUSA-N. The full InChI is InChI=1S/C6H12FNO.ClH/c1-9-6-2-5(3-7)8-4-6;/h5-6,8H,2-4H2,1H3;1H/t5-,6-;/m1./s1.
What are the key properties of (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride?
(2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride has a molecular weight of 169.63 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4R)-2-(fluoromethyl)-4-methoxypyrrolidine;hydrochloride is sourced from PubChem (CID 146049396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).