[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol

C9H17F2NO3S — CID 176666071

IUPAC[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO3S/c1-6(2)7-3-8(5-13)12(4-7)16(14,15)9(10)11/h6-9,13H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyUQZXXIJUWJSYDT-SFYZADRCSA-N
MW257.30 g/mol
LogP0.88
Rot. Bonds4

About [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol

[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol (PubChem CID 176666071) has the molecular formula C9H17F2NO3S and a molecular weight of 257.30 g/mol. Its IUPAC name is [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
PubChem CID176666071
Molecular FormulaC9H17F2NO3S
Molecular Weight257.30 g/mol
Exact Mass257.09
IUPAC Name[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
SMILESCC(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)C(F)F)C1
InChIInChI=1S/C9H17F2NO3S/c1-6(2)7-3-8(5-13)12(4-7)16(14,15)9(10)11/h6-9,13H,3-5H2,1-2H3/t7-,8+/m1/s1
InChIKeyUQZXXIJUWJSYDT-SFYZADRCSA-N
XLogP0.88
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4R)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol
CID 176666262
[3-Methyl-1-(trifluoromethylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786088
[3-Methyl-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
CID 102786382
[1-(Difluoromethylsulfonyl)-3-methylpyrrolidin-2-yl]methanol
CID 102786537
[(2R)-1-(difluoromethylsulfonyl)pyrrolidin-2-yl]methanol;ethane
CID 176666256

Frequently Asked Questions

What is the IUPAC name of [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol?
The IUPAC name of [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol (CID 176666071) is [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol is CC(C)[C@@H]1C[C@@H](CO)N(S(=O)(=O)C(F)F)C1.
What is the InChIKey of [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol?
The InChIKey is UQZXXIJUWJSYDT-SFYZADRCSA-N. The full InChI is InChI=1S/C9H17F2NO3S/c1-6(2)7-3-8(5-13)12(4-7)16(14,15)9(10)11/h6-9,13H,3-5H2,1-2H3/t7-,8+/m1/s1.
What are the key properties of [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol?
[(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol has a molecular weight of 257.30 g/mol, XLogP of 0.88, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,4S)-1-(difluoromethylsulfonyl)-4-propan-2-ylpyrrolidin-2-yl]methanol is sourced from PubChem (CID 176666071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).