(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide

C11H18F4N2O2 — CID 118882621

IUPAC(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide
SMILESC[C@H](CCN1CC(F)(F)C(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H18F4N2O2/c1-7(8(18)4-9(16)19)2-3-17-5-10(12,13)11(14,15)6-17/h7-8,18H,2-6H2,1H3,(H2,16,19)/t7-,8+/m1/s1
InChIKeyJXZHCDAFCIYELU-SFYZADRCSA-N
MW286.27 g/mol
LogP0.84
Rot. Bonds6

About (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide

(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide (PubChem CID 118882621) has the molecular formula C11H18F4N2O2 and a molecular weight of 286.27 g/mol. Its IUPAC name is (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide.

Molecular Properties

Compound Name(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide
PubChem CID118882621
Molecular FormulaC11H18F4N2O2
Molecular Weight286.27 g/mol
Exact Mass286.13
IUPAC Name(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide
SMILESC[C@H](CCN1CC(F)(F)C(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H18F4N2O2/c1-7(8(18)4-9(16)19)2-3-17-5-10(12,13)11(14,15)6-17/h7-8,18H,2-6H2,1H3,(H2,16,19)/t7-,8+/m1/s1
InChIKeyJXZHCDAFCIYELU-SFYZADRCSA-N
XLogP0.84
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.27
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide?
The IUPAC name of (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide (CID 118882621) is (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide.
What is the SMILES notation for (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide?
The canonical SMILES for (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide is C[C@H](CCN1CC(F)(F)C(F)(F)C1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide?
The InChIKey is JXZHCDAFCIYELU-SFYZADRCSA-N. The full InChI is InChI=1S/C11H18F4N2O2/c1-7(8(18)4-9(16)19)2-3-17-5-10(12,13)11(14,15)6-17/h7-8,18H,2-6H2,1H3,(H2,16,19)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide?
(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide has a molecular weight of 286.27 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide is sourced from PubChem (CID 118882621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).