1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one

C11H22FNO — CID 164982463

IUPAC1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one
SMILESCC(C)CC(=O)CN(C)C(F)C(C)C
InChIInChI=1S/C11H22FNO/c1-8(2)6-10(14)7-13(5)11(12)9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKeyZXYLBDSJWYNKAQ-UHFFFAOYSA-N
MW203.30 g/mol
LogP2.48
Rot. Bonds6

About 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one

1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one (PubChem CID 164982463) has the molecular formula C11H22FNO and a molecular weight of 203.30 g/mol. Its IUPAC name is 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one.

Molecular Properties

Compound Name1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one
PubChem CID164982463
Molecular FormulaC11H22FNO
Molecular Weight203.30 g/mol
Exact Mass203.17
IUPAC Name1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one
SMILESCC(C)CC(=O)CN(C)C(F)C(C)C
InChIInChI=1S/C11H22FNO/c1-8(2)6-10(14)7-13(5)11(12)9(3)4/h8-9,11H,6-7H2,1-5H3
InChIKeyZXYLBDSJWYNKAQ-UHFFFAOYSA-N
XLogP2.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.30
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one?
The IUPAC name of 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one (CID 164982463) is 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one.
What is the SMILES notation for 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one?
The canonical SMILES for 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one is CC(C)CC(=O)CN(C)C(F)C(C)C.
What is the InChIKey of 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one?
The InChIKey is ZXYLBDSJWYNKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22FNO/c1-8(2)6-10(14)7-13(5)11(12)9(3)4/h8-9,11H,6-7H2,1-5H3.
What are the key properties of 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one?
1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one has a molecular weight of 203.30 g/mol, XLogP of 2.48, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-fluoro-2-methylpropyl)-methylamino]-4-methylpentan-2-one is sourced from PubChem (CID 164982463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).