[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol

C9H16F3NO3S — CID 83059716

IUPAC[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m0/s1
InChIKeyGTUZVSNDSQUKCD-QMMMGPOBSA-N
MW275.29 g/mol
LogP1.12
Rot. Bonds5

About [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol

[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol (PubChem CID 83059716) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
PubChem CID83059716
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC[C@H]1CO
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m0/s1
InChIKeyGTUZVSNDSQUKCD-QMMMGPOBSA-N
XLogP1.12
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.29
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The IUPAC name of [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol (CID 83059716) is [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol.
What is the SMILES notation for [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The canonical SMILES for [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol is O=S(=O)(CCCC(F)(F)F)N1CCC[C@H]1CO.
What is the InChIKey of [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
The InChIKey is GTUZVSNDSQUKCD-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)4-2-6-17(15,16)13-5-1-3-8(13)7-14/h8,14H,1-7H2/t8-/m0/s1.
What are the key properties of [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol?
[(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol has a molecular weight of 275.29 g/mol, XLogP of 1.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-2-yl]methanol is sourced from PubChem (CID 83059716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).