(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine

C8H15F3N2O2S — CID 83058389

IUPAC(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-5-16(14,15)13-4-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1
InChIKeyBMYNTTRLIZBDSO-SSDOTTSWSA-N
MW260.28 g/mol
LogP0.69
Rot. Bonds4

About (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine

(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine (PubChem CID 83058389) has the molecular formula C8H15F3N2O2S and a molecular weight of 260.28 g/mol. Its IUPAC name is (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine
PubChem CID83058389
Molecular FormulaC8H15F3N2O2S
Molecular Weight260.28 g/mol
Exact Mass260.08
IUPAC Name(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1
InChIInChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-5-16(14,15)13-4-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1
InChIKeyBMYNTTRLIZBDSO-SSDOTTSWSA-N
XLogP0.69
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.28
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine?
The IUPAC name of (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine (CID 83058389) is (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine?
The canonical SMILES for (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)CCCC(F)(F)F)C1.
What is the InChIKey of (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine?
The InChIKey is BMYNTTRLIZBDSO-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H15F3N2O2S/c9-8(10,11)3-1-5-16(14,15)13-4-2-7(12)6-13/h7H,1-6,12H2/t7-/m1/s1.
What are the key properties of (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine?
(3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine has a molecular weight of 260.28 g/mol, XLogP of 0.69, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(4,4,4-trifluorobutylsulfonyl)pyrrolidin-3-amine is sourced from PubChem (CID 83058389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).