(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine

C5H10FN — CID 175740234

IUPAC(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine
SMILES[2H][C@H]1C[C@@H](F)CN1C
InChIInChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3/t5-/m1/s1/i3D/t3-,5+/m0
InChIKeyZAMXVCJJAQXCBT-UCSLHKBSSA-N
MW104.15 g/mol
LogP0.66
Rot. Bonds

About (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine

(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine (PubChem CID 175740234) has the molecular formula C5H10FN and a molecular weight of 104.15 g/mol. Its IUPAC name is (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine.

Molecular Properties

Compound Name(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine
PubChem CID175740234
Molecular FormulaC5H10FN
Molecular Weight104.15 g/mol
Exact Mass104.09
IUPAC Name(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine
SMILES[2H][C@H]1C[C@@H](F)CN1C
InChIInChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3/t5-/m1/s1/i3D/t3-,5+/m0
InChIKeyZAMXVCJJAQXCBT-UCSLHKBSSA-N
XLogP0.66
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500104.15
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;fluoromethane;3-fluoro-1-methylpyrrolidine
CID 177157428
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(3S)-3-fluoro-1,5-dimethylpiperidine
CID 177326802
(3S)-3-fluoro-1-methylpyrrolidine;methoxyethane
CID 166533777
(3S)-3-fluoro-1-[(1-methylazetidin-3-yl)methyl]pyrrolidine
CID 134177865
(3S,4S)-3,4-difluoro-1-methylpyrrolidine
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(3S)-3-fluoropyrrolidine-1-carbaldehyde
CID 118450648
4-fluoro-1-methylpiperidine;4-methylmorpholine
CID 153371912
3-fluoro-1-(3-methylbutyl)pyrrolidine
CID 67990286
2-[(3S)-3-fluoropyrrolidin-1-yl]-N-methylethanamine
CID 134444038
4-fluoro-1-(1-methylpiperidin-4-yl)piperidine
CID 90227733
(5R)-7-fluoro-3-methyl-3,9-diazabicyclo[3.3.1]nonane
CID 174083626

Frequently Asked Questions

What is the IUPAC name of (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine?
The IUPAC name of (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine (CID 175740234) is (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine.
What is the SMILES notation for (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine?
The canonical SMILES for (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine is [2H][C@H]1C[C@@H](F)CN1C.
What is the InChIKey of (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine?
The InChIKey is ZAMXVCJJAQXCBT-UCSLHKBSSA-N. The full InChI is InChI=1S/C5H10FN/c1-7-3-2-5(6)4-7/h5H,2-4H2,1H3/t5-/m1/s1/i3D/t3-,5+/m0.
What are the key properties of (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine?
(2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine has a molecular weight of 104.15 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-2-deuterio-4-fluoro-1-methylpyrrolidine is sourced from PubChem (CID 175740234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).