6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one

C9H16F3NO — CID 116554937

IUPAC6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one
SMILESCC(C)NCC(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-6-8(14)4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyLZQYDIBKBZEPQH-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.29
Rot. Bonds6

About 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one

6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one (PubChem CID 116554937) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one
PubChem CID116554937
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one
SMILESCC(C)NCC(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-7(2)13-6-8(14)4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3
InChIKeyLZQYDIBKBZEPQH-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one?
The IUPAC name of 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one (CID 116554937) is 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one is CC(C)NCC(=O)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one?
The InChIKey is LZQYDIBKBZEPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-7(2)13-6-8(14)4-3-5-9(10,11)12/h7,13H,3-6H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one?
6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one has a molecular weight of 211.23 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(propan-2-ylamino)hexan-2-one is sourced from PubChem (CID 116554937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).