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

C8H16F2N2O2 — CID 150023035

IUPAC(3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide
SMILESCCC[C@](N)(O)C(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H16F2N2O2/c1-4-5-7(11,14)8(9,10)6(13)12(2)3/h14H,4-5,11H2,1-3H3/t7-/m0/s1
InChIKeyDFQRDFIXBYBSIA-ZETCQYMHSA-N
MW210.22 g/mol
LogP0.16
Rot. Bonds4

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

(3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide (PubChem CID 150023035) has the molecular formula C8H16F2N2O2 and a molecular weight of 210.22 g/mol. Its IUPAC name is (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide.

Molecular Properties

Compound Name(3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide
PubChem CID150023035
Molecular FormulaC8H16F2N2O2
Molecular Weight210.22 g/mol
Exact Mass210.12
IUPAC Name(3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide
SMILESCCC[C@](N)(O)C(F)(F)C(=O)N(C)C
InChIInChI=1S/C8H16F2N2O2/c1-4-5-7(11,14)8(9,10)6(13)12(2)3/h14H,4-5,11H2,1-3H3/t7-/m0/s1
InChIKeyDFQRDFIXBYBSIA-ZETCQYMHSA-N
XLogP0.16
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide?
The IUPAC name of (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide (CID 150023035) is (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide.
What is the SMILES notation for (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide?
The canonical SMILES for (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide is CCC[C@](N)(O)C(F)(F)C(=O)N(C)C.
What is the InChIKey of (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide?
The InChIKey is DFQRDFIXBYBSIA-ZETCQYMHSA-N. The full InChI is InChI=1S/C8H16F2N2O2/c1-4-5-7(11,14)8(9,10)6(13)12(2)3/h14H,4-5,11H2,1-3H3/t7-/m0/s1.
What are the key properties of (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide?
(3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide has a molecular weight of 210.22 g/mol, XLogP of 0.16, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-amino-2,2-difluoro-3-hydroxy-N,N-dimethylhexanamide is sourced from PubChem (CID 150023035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).