(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine

C6H12FNO — CID 129180830

IUPAC(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CN(C)C[C@@H]1F
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRTCDOZULXVXHCN-WDSKDSINSA-N
MW133.17 g/mol
LogP0.28
Rot. Bonds1

About (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine

(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine (PubChem CID 129180830) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine.

Molecular Properties

Compound Name(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine
PubChem CID129180830
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine
SMILESCO[C@H]1CN(C)C[C@@H]1F
InChIInChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyRTCDOZULXVXHCN-WDSKDSINSA-N
XLogP0.28
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine?
The IUPAC name of (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine (CID 129180830) is (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine.
What is the SMILES notation for (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine?
The canonical SMILES for (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine is CO[C@H]1CN(C)C[C@@H]1F.
What is the InChIKey of (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine?
The InChIKey is RTCDOZULXVXHCN-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12FNO/c1-8-3-5(7)6(4-8)9-2/h5-6H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine?
(3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine has a molecular weight of 133.17 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-fluoro-4-methoxy-1-methylpyrrolidine is sourced from PubChem (CID 129180830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).