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

C10H18F2N2O2 — CID 118888252

IUPAC(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CC(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C10H18F2N2O2/c1-7(8(15)4-9(13)16)2-3-14-5-10(11,12)6-14/h7-8,15H,2-6H2,1H3,(H2,13,16)/t7-,8+/m1/s1
InChIKeyRDERZJJYNGXOGX-SFYZADRCSA-N
MW236.26 g/mol
LogP0.20
Rot. Bonds6

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

(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide (PubChem CID 118888252) has the molecular formula C10H18F2N2O2 and a molecular weight of 236.26 g/mol. Its IUPAC name is (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide.

Molecular Properties

Compound Name(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide
PubChem CID118888252
Molecular FormulaC10H18F2N2O2
Molecular Weight236.26 g/mol
Exact Mass236.13
IUPAC Name(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide
SMILESC[C@H](CCN1CC(F)(F)C1)[C@@H](O)CC(N)=O
InChIInChI=1S/C10H18F2N2O2/c1-7(8(15)4-9(13)16)2-3-14-5-10(11,12)6-14/h7-8,15H,2-6H2,1H3,(H2,13,16)/t7-,8+/m1/s1
InChIKeyRDERZJJYNGXOGX-SFYZADRCSA-N
XLogP0.20
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,2-difluoro-3-hydroxy-4-propan-2-yl-N-propylhexanediamide
CID 88335011
(3S,4R)-6-[4-fluoro-4-(hydroxymethyl)piperidin-1-yl]-3-hydroxy-4-methylhexanamide
CID 118374608
(3S,4R)-3-hydroxy-4-methyl-6-[3-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118374749
(3S,4R)-6-(4,4-difluoropiperidin-1-yl)-3-hydroxy-4-methylhexanamide
CID 118374752
(3S,4R)-6-[bis(3,3,3-trifluoropropyl)amino]-3-hydroxy-4-methylhexanamide
CID 118882617
(3S,4R)-3-hydroxy-4-methyl-6-(3,3,4,4-tetrafluoropyrrolidin-1-yl)hexanamide
CID 118882621
(3S,4R)-6-(3,3-difluoropyrrolidin-1-yl)-3-hydroxy-4-methylhexanamide
CID 118882674
(3S,4R)-3-hydroxy-4-methyl-6-[methyl(3,3,3-trifluoropropyl)amino]hexanamide
CID 118882679
(3S,4R)-3-hydroxy-4-methyl-6-[2-(trifluoromethyl)piperidin-1-yl]hexanamide
CID 118888240
(3S,4R)-6-[2-cyanoethyl(methyl)amino]-3-hydroxy-4-methylhexanamide
CID 118374614
(3S,4R)-3-hydroxy-6-(3-methoxyazetidin-1-yl)-4-methylhexanamide
CID 118374681
(3S,4R)-3-hydroxy-4-methyl-6-piperidin-1-ylhexanamide
CID 118882611

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide?
The IUPAC name of (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide (CID 118888252) is (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide.
What is the SMILES notation for (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide?
The canonical SMILES for (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide is C[C@H](CCN1CC(F)(F)C1)[C@@H](O)CC(N)=O.
What is the InChIKey of (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide?
The InChIKey is RDERZJJYNGXOGX-SFYZADRCSA-N. The full InChI is InChI=1S/C10H18F2N2O2/c1-7(8(15)4-9(13)16)2-3-14-5-10(11,12)6-14/h7-8,15H,2-6H2,1H3,(H2,13,16)/t7-,8+/m1/s1.
What are the key properties of (3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide?
(3S,4R)-6-(3,3-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide has a molecular weight of 236.26 g/mol, XLogP of 0.20, 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-difluoroazetidin-1-yl)-3-hydroxy-4-methylhexanamide is sourced from PubChem (CID 118888252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).