(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride

C5H9ClFNO3S — CID 165149901

IUPAC(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
SMILESCO[C@H]1CN(S(=O)(=O)Cl)C[C@H]1F
InChIInChI=1S/C5H9ClFNO3S/c1-11-5-3-8(2-4(5)7)12(6,9)10/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyGIGZCZXSQQEZHH-UHNVWZDZSA-N
MW217.65 g/mol
LogP0.14
Rot. Bonds2

About (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride

(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride (PubChem CID 165149901) has the molecular formula C5H9ClFNO3S and a molecular weight of 217.65 g/mol. Its IUPAC name is (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride.

Molecular Properties

Compound Name(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
PubChem CID165149901
Molecular FormulaC5H9ClFNO3S
Molecular Weight217.65 g/mol
Exact Mass217.00
IUPAC Name(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
SMILESCO[C@H]1CN(S(=O)(=O)Cl)C[C@H]1F
InChIInChI=1S/C5H9ClFNO3S/c1-11-5-3-8(2-4(5)7)12(6,9)10/h4-5H,2-3H2,1H3/t4-,5+/m1/s1
InChIKeyGIGZCZXSQQEZHH-UHNVWZDZSA-N
XLogP0.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 50.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-Methoxypyrrolidine-1-sulfonyl chloride
CID 103532002
trans-3,4-Dimethoxypyrrolidine-1-sulfonyl chloride
CID 165587089
3-(Difluoromethoxy)pyrrolidine-1-sulfonamide
CID 130675401
(R)-3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 165149945
3-Fluoro-4-methoxypyrrolidine-1-sulfonamide
CID 167526416
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
Propan-2-yl 3-fluoropyrrolidine-1-sulfonate
CID 177326694
C5H7ClF3NO3S
CID 117588063
(3S)-3-(difluoromethoxy)-N,N-dimethylpyrrolidine-1-sulfonamide
CID 121537739
(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
CID 130891111
3-Methoxypyrrolidine-1-sulfonyl fluoride
CID 135564416
3-Methoxy-3-(trifluoromethyl)pyrrolidine-1-sulfonyl chloride
CID 165870348

Frequently Asked Questions

What is the IUPAC name of (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride?
The IUPAC name of (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride (CID 165149901) is (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride.
What is the SMILES notation for (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride?
The canonical SMILES for (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride is CO[C@H]1CN(S(=O)(=O)Cl)C[C@H]1F.
What is the InChIKey of (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride?
The InChIKey is GIGZCZXSQQEZHH-UHNVWZDZSA-N. The full InChI is InChI=1S/C5H9ClFNO3S/c1-11-5-3-8(2-4(5)7)12(6,9)10/h4-5H,2-3H2,1H3/t4-,5+/m1/s1.
What are the key properties of (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride?
(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride has a molecular weight of 217.65 g/mol, XLogP of 0.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride is sourced from PubChem (CID 165149901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).