(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride

C10H21ClF2N2O2 — CID 22849256

IUPAC(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride
SMILESCCCNC(=O)C(F)(F)C(O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C10H20F2N2O2.ClH/c1-4-5-14-9(16)10(11,12)8(15)7(13)6(2)3;/h6-8,15H,4-5,13H2,1-3H3,(H,14,16);1H/t7-,8?;/m0./s1
InChIKeyXEMXXWASRWTDQB-JPPWUZRISA-N
MW274.74 g/mol
LogP0.91
Rot. Bonds6

About (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride

(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride (PubChem CID 22849256) has the molecular formula C10H21ClF2N2O2 and a molecular weight of 274.74 g/mol. Its IUPAC name is (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride.

Molecular Properties

Compound Name(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride
PubChem CID22849256
Molecular FormulaC10H21ClF2N2O2
Molecular Weight274.74 g/mol
Exact Mass274.13
IUPAC Name(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride
SMILESCCCNC(=O)C(F)(F)C(O)[C@@H](N)C(C)C.Cl
InChIInChI=1S/C10H20F2N2O2.ClH/c1-4-5-14-9(16)10(11,12)8(15)7(13)6(2)3;/h6-8,15H,4-5,13H2,1-3H3,(H,14,16);1H/t7-,8?;/m0./s1
InChIKeyXEMXXWASRWTDQB-JPPWUZRISA-N
XLogP0.91
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.74
LogP ≤ 50.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride?
The IUPAC name of (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride (CID 22849256) is (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride.
What is the SMILES notation for (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride?
The canonical SMILES for (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride is CCCNC(=O)C(F)(F)C(O)[C@@H](N)C(C)C.Cl.
What is the InChIKey of (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride?
The InChIKey is XEMXXWASRWTDQB-JPPWUZRISA-N. The full InChI is InChI=1S/C10H20F2N2O2.ClH/c1-4-5-14-9(16)10(11,12)8(15)7(13)6(2)3;/h6-8,15H,4-5,13H2,1-3H3,(H,14,16);1H/t7-,8?;/m0./s1.
What are the key properties of (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride?
(4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride has a molecular weight of 274.74 g/mol, XLogP of 0.91, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide;hydrochloride is sourced from PubChem (CID 22849256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).