(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one

C6H10FNO — CID 175917737

IUPAC(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
SMILESC[C@H]1CNC(=O)[C@]1(C)F
InChIInChI=1S/C6H10FNO/c1-4-3-8-5(9)6(4,2)7/h4H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
InChIKeyVUOJSNBVQXGRDZ-UJURSFKZSA-N
MW131.15 g/mol
LogP0.48
Rot. Bonds

About (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one

(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one (PubChem CID 175917737) has the molecular formula C6H10FNO and a molecular weight of 131.15 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
PubChem CID175917737
Molecular FormulaC6H10FNO
Molecular Weight131.15 g/mol
Exact Mass131.07
IUPAC Name(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one
SMILESC[C@H]1CNC(=O)[C@]1(C)F
InChIInChI=1S/C6H10FNO/c1-4-3-8-5(9)6(4,2)7/h4H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1
InChIKeyVUOJSNBVQXGRDZ-UJURSFKZSA-N
XLogP0.48
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.15
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one?
The IUPAC name of (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one (CID 175917737) is (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one.
What is the SMILES notation for (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one?
The canonical SMILES for (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one is C[C@H]1CNC(=O)[C@]1(C)F.
What is the InChIKey of (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one?
The InChIKey is VUOJSNBVQXGRDZ-UJURSFKZSA-N. The full InChI is InChI=1S/C6H10FNO/c1-4-3-8-5(9)6(4,2)7/h4H,3H2,1-2H3,(H,8,9)/t4-,6+/m0/s1.
What are the key properties of (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one?
(3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one has a molecular weight of 131.15 g/mol, XLogP of 0.48, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-3,4-dimethylpyrrolidin-2-one is sourced from PubChem (CID 175917737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).