(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride

C5H11ClFNO — CID 154810015

IUPAC(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
SMILESCO[C@H]1CNC[C@H]1F.Cl
InChIInChI=1S/C5H10FNO.ClH/c1-8-5-3-7-2-4(5)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyZWYUPOATRRHOKQ-JBUOLDKXSA-N
MW155.60 g/mol
LogP0.36
Rot. Bonds1

About (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride

(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride (PubChem CID 154810015) has the molecular formula C5H11ClFNO and a molecular weight of 155.60 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
PubChem CID154810015
Molecular FormulaC5H11ClFNO
Molecular Weight155.60 g/mol
Exact Mass155.05
IUPAC Name(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride
SMILESCO[C@H]1CNC[C@H]1F.Cl
InChIInChI=1S/C5H10FNO.ClH/c1-8-5-3-7-2-4(5)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1
InChIKeyZWYUPOATRRHOKQ-JBUOLDKXSA-N
XLogP0.36
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.60
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride (CID 154810015) is (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride is CO[C@H]1CNC[C@H]1F.Cl.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride?
The InChIKey is ZWYUPOATRRHOKQ-JBUOLDKXSA-N. The full InChI is InChI=1S/C5H10FNO.ClH/c1-8-5-3-7-2-4(5)6;/h4-5,7H,2-3H2,1H3;1H/t4-,5+;/m1./s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride?
(3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride has a molecular weight of 155.60 g/mol, XLogP of 0.36, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methoxypyrrolidine;hydrochloride is sourced from PubChem (CID 154810015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).