(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol

C6H12FNO — CID 155257142

IUPAC(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol
SMILESCC1[C@H](O)[C@@H](F)CN1C
InChIInChI=1S/C6H12FNO/c1-4-6(9)5(7)3-8(4)2/h4-6,9H,3H2,1-2H3/t4?,5-,6-/m0/s1
InChIKeyTZBFWHQBXMMTBX-VZLNHYCJSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds

About (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol

(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol (PubChem CID 155257142) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol
PubChem CID155257142
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol
SMILESCC1[C@H](O)[C@@H](F)CN1C
InChIInChI=1S/C6H12FNO/c1-4-6(9)5(7)3-8(4)2/h4-6,9H,3H2,1-2H3/t4?,5-,6-/m0/s1
InChIKeyTZBFWHQBXMMTBX-VZLNHYCJSA-N
XLogP0.02
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.17
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol (CID 155257142) is (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol is CC1[C@H](O)[C@@H](F)CN1C.
What is the InChIKey of (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol?
The InChIKey is TZBFWHQBXMMTBX-VZLNHYCJSA-N. The full InChI is InChI=1S/C6H12FNO/c1-4-6(9)5(7)3-8(4)2/h4-6,9H,3H2,1-2H3/t4?,5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol?
(3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol has a molecular weight of 133.17 g/mol, XLogP of 0.02, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-4-fluoro-1,2-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 155257142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).