[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol

C9H16F3NO3S — CID 83059844

IUPAC[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)3-1-5-17(15,16)13-4-2-8(6-13)7-14/h8,14H,1-7H2
InChIKeyMDFLSZGBJTXRRB-UHFFFAOYSA-N
MW275.29 g/mol
LogP0.97
Rot. Bonds5

About [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol

[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol (PubChem CID 83059844) has the molecular formula C9H16F3NO3S and a molecular weight of 275.29 g/mol. Its IUPAC name is [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
PubChem CID83059844
Molecular FormulaC9H16F3NO3S
Molecular Weight275.29 g/mol
Exact Mass275.08
IUPAC Name[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol
SMILESO=S(=O)(CCCC(F)(F)F)N1CCC(CO)C1
InChIInChI=1S/C9H16F3NO3S/c10-9(11,12)3-1-5-17(15,16)13-4-2-8(6-13)7-14/h8,14H,1-7H2
InChIKeyMDFLSZGBJTXRRB-UHFFFAOYSA-N
XLogP0.97
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 ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol?
The IUPAC name of [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol (CID 83059844) is [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol.
What is the SMILES notation for [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol?
The canonical SMILES for [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol is O=S(=O)(CCCC(F)(F)F)N1CCC(CO)C1.
What is the InChIKey of [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol?
The InChIKey is MDFLSZGBJTXRRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO3S/c10-9(11,12)3-1-5-17(15,16)13-4-2-8(6-13)7-14/h8,14H,1-7H2.
What are the key properties of [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol?
[1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol has a molecular weight of 275.29 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-yl]methanol is sourced from PubChem (CID 83059844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).