(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine

C7H15FN2O — CID 141041656

IUPAC(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine
SMILESCOC[C@@H](N)[C@H]1CNC[C@@H]1F
InChIInChI=1S/C7H15FN2O/c1-11-4-7(9)5-2-10-3-6(5)8/h5-7,10H,2-4,9H2,1H3/t5-,6-,7+/m0/s1
InChIKeyRBMAOKYNEIYRIE-LYFYHCNISA-N
MW162.21 g/mol
LogP-0.48
Rot. Bonds3

About (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine

(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine (PubChem CID 141041656) has the molecular formula C7H15FN2O and a molecular weight of 162.21 g/mol. Its IUPAC name is (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine.

Molecular Properties

Compound Name(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine
PubChem CID141041656
Molecular FormulaC7H15FN2O
Molecular Weight162.21 g/mol
Exact Mass162.12
IUPAC Name(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine
SMILESCOC[C@@H](N)[C@H]1CNC[C@@H]1F
InChIInChI=1S/C7H15FN2O/c1-11-4-7(9)5-2-10-3-6(5)8/h5-7,10H,2-4,9H2,1H3/t5-,6-,7+/m0/s1
InChIKeyRBMAOKYNEIYRIE-LYFYHCNISA-N
XLogP-0.48
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.21
LogP ≤ 5-0.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine?
The IUPAC name of (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine (CID 141041656) is (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine.
What is the SMILES notation for (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine?
The canonical SMILES for (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine is COC[C@@H](N)[C@H]1CNC[C@@H]1F.
What is the InChIKey of (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine?
The InChIKey is RBMAOKYNEIYRIE-LYFYHCNISA-N. The full InChI is InChI=1S/C7H15FN2O/c1-11-4-7(9)5-2-10-3-6(5)8/h5-7,10H,2-4,9H2,1H3/t5-,6-,7+/m0/s1.
What are the key properties of (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine?
(1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine has a molecular weight of 162.21 g/mol, XLogP of -0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-[(3R,4R)-4-fluoropyrrolidin-3-yl]-2-methoxyethanamine is sourced from PubChem (CID 141041656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).