(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide

C6H10Cl3NO3 — CID 11543342

IUPAC(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h4,11H,3H2,1-2H3/t4-/m1/s1
InChIKeyGIQBNXOEPZWELY-SCSAIBSYSA-N
MW250.51 g/mol
LogP1.13
Rot. Bonds3

About (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide

(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide (PubChem CID 11543342) has the molecular formula C6H10Cl3NO3 and a molecular weight of 250.51 g/mol. Its IUPAC name is (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide.

Molecular Properties

Compound Name(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide
PubChem CID11543342
Molecular FormulaC6H10Cl3NO3
Molecular Weight250.51 g/mol
Exact Mass248.97
IUPAC Name(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide
SMILESCON(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl
InChIInChI=1S/C6H10Cl3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h4,11H,3H2,1-2H3/t4-/m1/s1
InChIKeyGIQBNXOEPZWELY-SCSAIBSYSA-N
XLogP1.13
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.51
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide?
The IUPAC name of (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide (CID 11543342) is (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide.
What is the SMILES notation for (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide?
The canonical SMILES for (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide is CON(C)C(=O)C[C@@H](O)C(Cl)(Cl)Cl.
What is the InChIKey of (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide?
The InChIKey is GIQBNXOEPZWELY-SCSAIBSYSA-N. The full InChI is InChI=1S/C6H10Cl3NO3/c1-10(13-2)5(12)3-4(11)6(7,8)9/h4,11H,3H2,1-2H3/t4-/m1/s1.
What are the key properties of (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide?
(3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide has a molecular weight of 250.51 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4,4,4-trichloro-3-hydroxy-N-methoxy-N-methylbutanamide is sourced from PubChem (CID 11543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).