N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide

C5H9F3N2O2S — CID 171651303

IUPACN-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)N[C@@H]1CNCC1(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-3-13(11,12)10-4-1-9-2-5(4,7)8/h4,9-10H,1-3H2/t4-/m1/s1
InChIKeyRCCHFESIPXULRB-SCSAIBSYSA-N
MW218.20 g/mol
LogP-0.56
Rot. Bonds3

About N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide

N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide (PubChem CID 171651303) has the molecular formula C5H9F3N2O2S and a molecular weight of 218.20 g/mol. Its IUPAC name is N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide
PubChem CID171651303
Molecular FormulaC5H9F3N2O2S
Molecular Weight218.20 g/mol
Exact Mass218.03
IUPAC NameN-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide
SMILESO=S(=O)(CF)N[C@@H]1CNCC1(F)F
InChIInChI=1S/C5H9F3N2O2S/c6-3-13(11,12)10-4-1-9-2-5(4,7)8/h4,9-10H,1-3H2/t4-/m1/s1
InChIKeyRCCHFESIPXULRB-SCSAIBSYSA-N
XLogP-0.56
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.20
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The IUPAC name of N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide (CID 171651303) is N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide.
What is the SMILES notation for N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The canonical SMILES for N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide is O=S(=O)(CF)N[C@@H]1CNCC1(F)F.
What is the InChIKey of N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide?
The InChIKey is RCCHFESIPXULRB-SCSAIBSYSA-N. The full InChI is InChI=1S/C5H9F3N2O2S/c6-3-13(11,12)10-4-1-9-2-5(4,7)8/h4,9-10H,1-3H2/t4-/m1/s1.
What are the key properties of N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide?
N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide has a molecular weight of 218.20 g/mol, XLogP of -0.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-4,4-difluoropyrrolidin-3-yl]-1-fluoromethanesulfonamide is sourced from PubChem (CID 171651303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).