(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide

C11H20F2N2O2 — CID 118882674

IUPAC(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H20F2N2O2/c1-8(9(16)6-10(14)17)2-4-15-5-3-11(12,13)7-15/h8-9,16H,2-7H2,1H3,(H2,14,17)/t8-,9+/m1/s1
InChIKeyZXQQHLFNMUXWJG-BDAKNGLRSA-N
MW250.29 g/mol
LogP0.59
Rot. Bonds6

About (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide

(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide (PubChem CID 118882674) has the molecular formula C11H20F2N2O2 and a molecular weight of 250.29 g/mol. Its IUPAC name is (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide
PubChem CID118882674
Molecular FormulaC11H20F2N2O2
Molecular Weight250.29 g/mol
Exact Mass250.15
IUPAC Name(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CCC(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C11H20F2N2O2/c1-8(9(16)6-10(14)17)2-4-15-5-3-11(12,13)7-15/h8-9,16H,2-7H2,1H3,(H2,14,17)/t8-,9+/m1/s1
InChIKeyZXQQHLFNMUXWJG-BDAKNGLRSA-N
XLogP0.59
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide?
The IUPAC name of (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide (CID 118882674) is (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide?
The canonical SMILES for (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide is C[C@H](CCN1CCC(F)(F)C1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide?
The InChIKey is ZXQQHLFNMUXWJG-BDAKNGLRSA-N. The full InChI is InChI=1S/C11H20F2N2O2/c1-8(9(16)6-10(14)17)2-4-15-5-3-11(12,13)7-15/h8-9,16H,2-7H2,1H3,(H2,14,17)/t8-,9+/m1/s1.
What are the key properties of (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide?
(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide has a molecular weight of 250.29 g/mol, XLogP of 0.59, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide is sourced from PubChem (CID 118882674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).