(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine

C11H12F4N2O2S — CID 119962610

IUPAC(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C11H12F4N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2/t8-/m1/s1
InChIKeyBYVKPFQOHUVWQY-MRVPVSSYSA-N
MW312.29 g/mol
LogP1.57
Rot. Bonds2

About (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine

(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine (PubChem CID 119962610) has the molecular formula C11H12F4N2O2S and a molecular weight of 312.29 g/mol. Its IUPAC name is (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine.

Molecular Properties

Compound Name(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
PubChem CID119962610
Molecular FormulaC11H12F4N2O2S
Molecular Weight312.29 g/mol
Exact Mass312.06
IUPAC Name(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine
SMILESN[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1
InChIInChI=1S/C11H12F4N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2/t8-/m1/s1
InChIKeyBYVKPFQOHUVWQY-MRVPVSSYSA-N
XLogP1.57
TPSA63.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.29
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The IUPAC name of (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine (CID 119962610) is (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine.
What is the SMILES notation for (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The canonical SMILES for (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine is N[C@@H]1CCN(S(=O)(=O)c2ccc(F)cc2C(F)(F)F)C1.
What is the InChIKey of (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
The InChIKey is BYVKPFQOHUVWQY-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12F4N2O2S/c12-7-1-2-10(9(5-7)11(13,14)15)20(18,19)17-4-3-8(16)6-17/h1-2,5,8H,3-4,6,16H2/t8-/m1/s1.
What are the key properties of (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine?
(3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine has a molecular weight of 312.29 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-fluoro-2-(trifluoromethyl)phenyl]sulfonylpyrrolidin-3-amine is sourced from PubChem (CID 119962610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).