(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine

C6H12FN — CID 167399019

IUPAC(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
SMILESC[C@H]1[C@H](F)CCN1C
InChIInChI=1S/C6H12FN/c1-5-6(7)3-4-8(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyPYDLJPXWCLIKIR-NTSWFWBYSA-N
MW117.17 g/mol
LogP1.05
Rot. Bonds

About (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine

(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine (PubChem CID 167399019) has the molecular formula C6H12FN and a molecular weight of 117.17 g/mol. Its IUPAC name is (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine.

Molecular Properties

Compound Name(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
PubChem CID167399019
Molecular FormulaC6H12FN
Molecular Weight117.17 g/mol
Exact Mass117.10
IUPAC Name(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine
SMILESC[C@H]1[C@H](F)CCN1C
InChIInChI=1S/C6H12FN/c1-5-6(7)3-4-8(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1
InChIKeyPYDLJPXWCLIKIR-NTSWFWBYSA-N
XLogP1.05
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.17
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine?
The IUPAC name of (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine (CID 167399019) is (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine.
What is the SMILES notation for (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine?
The canonical SMILES for (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine is C[C@H]1[C@H](F)CCN1C.
What is the InChIKey of (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine?
The InChIKey is PYDLJPXWCLIKIR-NTSWFWBYSA-N. The full InChI is InChI=1S/C6H12FN/c1-5-6(7)3-4-8(5)2/h5-6H,3-4H2,1-2H3/t5-,6+/m0/s1.
What are the key properties of (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine?
(2S,3R)-3-fluoro-1,2-dimethylpyrrolidine has a molecular weight of 117.17 g/mol, XLogP of 1.05, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-3-fluoro-1,2-dimethylpyrrolidine is sourced from PubChem (CID 167399019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).