[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol

C6H11F2NO3S — CID 79028201

IUPAC[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESC1C[C@H](N(C1)S(=O)(=O)C(F)F)CO
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-1-2-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1
InChIKeyBHYANAQZMNKICA-YFKPBYRVSA-N
MW215.22 g/mol
LogP0.30
Rot. Bonds3

About [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol

[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 79028201) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID79028201
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol
SMILESC1C[C@H](N(C1)S(=O)(=O)C(F)F)CO
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-1-2-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1
InChIKeyBHYANAQZMNKICA-YFKPBYRVSA-N
XLogP0.30
TPSA66.00 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms13
Complexity262

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol (CID 79028201) is [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol is C1C[C@H](N(C1)S(=O)(=O)C(F)F)CO.
What is the InChIKey of [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is BHYANAQZMNKICA-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-1-2-5(9)4-10/h5-6,10H,1-4H2/t5-/m0/s1.
What are the key properties of [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 215.22 g/mol, XLogP of 0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 79028201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).