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

C10H20F2N2O2 — CID 10490109

IUPAC(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C10H20F2N2O2/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)/t7-,8+/m0/s1
InChIKeyGEZXFNHAYREYMA-JGVFFNPUSA-N
MW238.28 g/mol
LogP0.49
Rot. Bonds6

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

(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (PubChem CID 10490109) has the molecular formula C10H20F2N2O2 and a molecular weight of 238.28 g/mol. Its IUPAC name is (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.

Molecular Properties

Compound Name(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
PubChem CID10490109
Molecular FormulaC10H20F2N2O2
Molecular Weight238.28 g/mol
Exact Mass238.15
IUPAC Name(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide
SMILESCCCNC(=O)C(F)(F)[C@H](O)[C@@H](N)C(C)C
InChIInChI=1S/C10H20F2N2O2/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)/t7-,8+/m0/s1
InChIKeyGEZXFNHAYREYMA-JGVFFNPUSA-N
XLogP0.49
TPSA75.35 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.28
LogP ≤ 50.49
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-5-methyl-N-propylhexanamide?
The IUPAC name of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide (CID 10490109) is (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide.
What is the SMILES notation for (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
The canonical SMILES for (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide is CCCNC(=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-5-methyl-N-propylhexanamide?
The InChIKey is GEZXFNHAYREYMA-JGVFFNPUSA-N. The full InChI is InChI=1S/C10H20F2N2O2/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)/t7-,8+/m0/s1.
What are the key properties of (3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide?
(3R,4S)-4-amino-2,2-difluoro-3-hydroxy-5-methyl-N-propylhexanamide has a molecular weight of 238.28 g/mol, XLogP of 0.49, 6 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-5-methyl-N-propylhexanamide is sourced from PubChem (CID 10490109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).