(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide

C9H18FNO2 — CID 168948667

IUPAC(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide
SMILESCC[C@@H](F)C[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H18FNO2/c1-5-8(10)6-7(2)9(12)11(3)13-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyKKEUJHXLJPDAGJ-JGVFFNPUSA-N
MW191.25 g/mol
LogP1.78
Rot. Bonds5

About (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide

(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide (PubChem CID 168948667) has the molecular formula C9H18FNO2 and a molecular weight of 191.25 g/mol. Its IUPAC name is (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide.

Molecular Properties

Compound Name(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide
PubChem CID168948667
Molecular FormulaC9H18FNO2
Molecular Weight191.25 g/mol
Exact Mass191.13
IUPAC Name(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide
SMILESCC[C@@H](F)C[C@H](C)C(=O)N(C)OC
InChIInChI=1S/C9H18FNO2/c1-5-8(10)6-7(2)9(12)11(3)13-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1
InChIKeyKKEUJHXLJPDAGJ-JGVFFNPUSA-N
XLogP1.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.25
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide?
The IUPAC name of (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide (CID 168948667) is (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide.
What is the SMILES notation for (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide?
The canonical SMILES for (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide is CC[C@@H](F)C[C@H](C)C(=O)N(C)OC.
What is the InChIKey of (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide?
The InChIKey is KKEUJHXLJPDAGJ-JGVFFNPUSA-N. The full InChI is InChI=1S/C9H18FNO2/c1-5-8(10)6-7(2)9(12)11(3)13-4/h7-8H,5-6H2,1-4H3/t7-,8+/m0/s1.
What are the key properties of (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide?
(2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide has a molecular weight of 191.25 g/mol, XLogP of 1.78, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R)-4-fluoro-N-methoxy-N,2-dimethylhexanamide is sourced from PubChem (CID 168948667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).