1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

C7H14F2N2O2S — CID 104972413

IUPAC1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-3-6-2-1-4-10-6/h6-7,10-11H,1-5H2/t6-/m1/s1
InChIKeyKXIVUNBFKMLJCN-ZCFIWIBFSA-N
MW228.26 g/mol
LogP0.27
Rot. Bonds5

About 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide

1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (PubChem CID 104972413) has the molecular formula C7H14F2N2O2S and a molecular weight of 228.26 g/mol. Its IUPAC name is 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
PubChem CID104972413
Molecular FormulaC7H14F2N2O2S
Molecular Weight228.26 g/mol
Exact Mass228.07
IUPAC Name1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide
SMILESO=S(=O)(NCC[C@H]1CCCN1)C(F)F
InChIInChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-3-6-2-1-4-10-6/h6-7,10-11H,1-5H2/t6-/m1/s1
InChIKeyKXIVUNBFKMLJCN-ZCFIWIBFSA-N
XLogP0.27
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide (CID 104972413) is 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is O=S(=O)(NCC[C@H]1CCCN1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
The InChIKey is KXIVUNBFKMLJCN-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H14F2N2O2S/c8-7(9)14(12,13)11-5-3-6-2-1-4-10-6/h6-7,10-11H,1-5H2/t6-/m1/s1.
What are the key properties of 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide?
1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide has a molecular weight of 228.26 g/mol, XLogP of 0.27, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[2-[(2R)-pyrrolidin-2-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 104972413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).