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

C6H12FNO — CID 122450703

IUPAC(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
SMILESCN1C[C@H](O)[C@@](C)(F)C1
InChIInChI=1S/C6H12FNO/c1-6(7)4-8(2)3-5(6)9/h5,9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyVDWRPWAVCJVMLN-WDSKDSINSA-N
MW133.17 g/mol
LogP0.02
Rot. Bonds

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

(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol (PubChem CID 122450703) has the molecular formula C6H12FNO and a molecular weight of 133.17 g/mol. Its IUPAC name is (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
PubChem CID122450703
Molecular FormulaC6H12FNO
Molecular Weight133.17 g/mol
Exact Mass133.09
IUPAC Name(3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol
SMILESCN1C[C@H](O)[C@@](C)(F)C1
InChIInChI=1S/C6H12FNO/c1-6(7)4-8(2)3-5(6)9/h5,9H,3-4H2,1-2H3/t5-,6-/m0/s1
InChIKeyVDWRPWAVCJVMLN-WDSKDSINSA-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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Related Compounds

ethane;4-fluoro-1,4-dimethylpyrrolidin-3-ol
CID 177317918
5,5-difluoro-1-methylpiperidin-3-ol
CID 130890639
(3S)-1,5,5-trimethylpiperidin-3-ol
CID 166894829
3-fluoro-1,3-dimethylazetidine
CID 89296536
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 164870168
3,3-difluoro-1-methylpiperidin-4-ol;ethane
CID 166075423
1,3-dimethyl-3-azabicyclo[3.1.1]heptane;ethane
CID 168882588
(3S,4R)-4-(hydroxymethyl)-1,4-dimethylpiperidin-3-ol
CID 166167558
(3S,4S)-3-fluoro-3-methyl-1-(2-methylpropyl)piperidin-4-ol
CID 176977070
(1S,5R)-1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 147184250
1,3-dimethyl-3-azabicyclo[3.1.0]hexane
CID 58944885
ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The IUPAC name of (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol (CID 122450703) is (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol.
What is the SMILES notation for (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The canonical SMILES for (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol is CN1C[C@H](O)[C@@](C)(F)C1.
What is the InChIKey of (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol?
The InChIKey is VDWRPWAVCJVMLN-WDSKDSINSA-N. The full InChI is InChI=1S/C6H12FNO/c1-6(7)4-8(2)3-5(6)9/h5,9H,3-4H2,1-2H3/t5-,6-/m0/s1.
What are the key properties of (3S,4S)-4-fluoro-1,4-dimethylpyrrolidin-3-ol?
(3S,4S)-4-fluoro-1,4-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-1,4-dimethylpyrrolidin-3-ol is sourced from PubChem (CID 122450703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).