(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine

C6H12FNO — CID 86724497

IUPAC(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine
SMILESCO[C@H]1CN[C@H](CF)C1
InChIInChI=1S/C6H12FNO/c1-9-6-2-5(3-7)8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyFDSQVTOGYVLLKW-NTSWFWBYSA-N
MW133.17 g/mol
LogP0.33
Rot. Bonds2

About (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine

(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine (PubChem CID 86724497) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine
PubChem CID86724497
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine
SMILESCO[C@H]1CN[C@H](CF)C1
InChIInChI=1S/C6H12FNO/c1-9-6-2-5(3-7)8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1
InChIKeyFDSQVTOGYVLLKW-NTSWFWBYSA-N
XLogP0.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine?
The IUPAC name of (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine (CID 86724497) is (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine.
What is the SMILES notation for (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine?
The canonical SMILES for (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine is CO[C@H]1CN[C@H](CF)C1.
What is the InChIKey of (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine?
The InChIKey is FDSQVTOGYVLLKW-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FNO/c1-9-6-2-5(3-7)8-4-6/h5-6,8H,2-4H2,1H3/t5-,6+/m0/s1.
What are the key properties of (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine?
(2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine has a molecular weight of 133.17 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-(fluoromethyl)-4-methoxypyrrolidine is sourced from PubChem (CID 86724497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).