(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide

C8H16F2N2O2 — CID 10846113

IUPAC(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide
SMILESCNC(=O)C(F)(F)[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C8H16F2N2O2/c1-4(2)5(11)6(13)8(9,10)7(14)12-3/h4-6,13H,11H2,1-3H3,(H,12,14)/t5-,6+/m0/s1
InChIKeyODYGVJPZTVKSOK-NTSWFWBYSA-N
MW210.22 g/mol
LogP-0.29
Rot. Bonds4

About (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide

(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide (PubChem CID 10846113) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide.

Molecular Properties

Compound Name(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide
PubChem CID10846113
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide
SMILESCNC(=O)C(F)(F)[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C8H16F2N2O2/c1-4(2)5(11)6(13)8(9,10)7(14)12-3/h4-6,13H,11H2,1-3H3,(H,12,14)/t5-,6+/m0/s1
InChIKeyODYGVJPZTVKSOK-NTSWFWBYSA-N
XLogP-0.29
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide?
The IUPAC name of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide (CID 10846113) is (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide.
What is the SMILES notation for (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide?
The canonical SMILES for (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide is CNC(=O)C(F)(F)[C@H](O)[C@@H](N)C(C)C.
What is the InChIKey of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide?
The InChIKey is ODYGVJPZTVKSOK-NTSWFWBYSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-4(2)5(11)6(13)8(9,10)7(14)12-3/h4-6,13H,11H2,1-3H3,(H,12,14)/t5-,6+/m0/s1.
What are the key properties of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide?
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide has a molecular weight of 210.22 g/mol, XLogP of -0.29, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-N,5-dimethylhexanamide is sourced from PubChem (CID 10846113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).