(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine

C6H11F2NO3S — CID 130891111

IUPAC(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO3S/c1-12-5-2-3-9(4-5)13(10,11)6(7)8/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyYUBYTZRDLDNNCX-YFKPBYRVSA-N
MW215.22 g/mol
LogP0.26
Rot. Bonds3

About (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine

(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine (PubChem CID 130891111) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine.

Molecular Properties

Compound Name(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
PubChem CID130891111
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine
SMILESCO[C@H]1CCN(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C6H11F2NO3S/c1-12-5-2-3-9(4-5)13(10,11)6(7)8/h5-6H,2-4H2,1H3/t5-/m0/s1
InChIKeyYUBYTZRDLDNNCX-YFKPBYRVSA-N
XLogP0.26
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4,4-Difluoro-1-methylpyrrolidin-3-yl) trifluoromethanesulfonate
CID 129247842
(1-Ethyl-4,4-difluoropyrrolidin-3-yl) trifluoromethanesulfonate
CID 129248147
3-(Difluoromethoxy)pyrrolidine-1-sulfonamide
CID 130675401
(1-Propylpyrrolidin-3-yl) trifluoromethanesulfonate
CID 142633435
2-(3,3-Difluoropyrrolidin-1-yl)ethyl methanesulfonate
CID 148069970
Rel-(3R,4S)-3-fluoro-4-methoxypyrrolidine-1-sulfonyl chloride
CID 165149901
(R)-3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 165149945
[(3S)-1-(2,2-difluoroethyl)pyrrolidin-3-yl] methanesulfonate
CID 169004912
[1-(2,2-Difluoroethyl)pyrrolidin-3-yl] methanesulfonate
CID 169766220
3-(Difluoromethoxy)pyrrolidine-1-sulfonyl chloride
CID 175428884
N-ethyl-1,1,1-trifluoro-N-[[(2S)-oxiran-2-yl]methyl]methanesulfonamide
CID 10681127
1-(Difluoromethylsulfonyl)pyrrolidin-3-ol
CID 62917981

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine?
The IUPAC name of (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine (CID 130891111) is (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine.
What is the SMILES notation for (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine?
The canonical SMILES for (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine is CO[C@H]1CCN(S(=O)(=O)C(F)F)C1.
What is the InChIKey of (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine?
The InChIKey is YUBYTZRDLDNNCX-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c1-12-5-2-3-9(4-5)13(10,11)6(7)8/h5-6H,2-4H2,1H3/t5-/m0/s1.
What are the key properties of (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine?
(3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine has a molecular weight of 215.22 g/mol, XLogP of 0.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(difluoromethylsulfonyl)-3-methoxypyrrolidine is sourced from PubChem (CID 130891111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).