1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one

C9H14F3NO — CID 116555164

IUPAC1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one
SMILESO=C(CCCC(F)(F)F)CNC1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-8(14)6-13-7-3-4-7/h7,13H,1-6H2
InChIKeyZXNUQZXQMXYHLU-UHFFFAOYSA-N
MW209.21 g/mol
LogP2.04
Rot. Bonds6

About 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one

1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one (PubChem CID 116555164) has the molecular formula C9H14F3NO and a molecular weight of 209.21 g/mol. Its IUPAC name is 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one.

Molecular Properties

Compound Name1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one
PubChem CID116555164
Molecular FormulaC9H14F3NO
Molecular Weight209.21 g/mol
Exact Mass209.10
IUPAC Name1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one
SMILESO=C(CCCC(F)(F)F)CNC1CC1
InChIInChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-8(14)6-13-7-3-4-7/h7,13H,1-6H2
InChIKeyZXNUQZXQMXYHLU-UHFFFAOYSA-N
XLogP2.04
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.21
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one?
The IUPAC name of 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one (CID 116555164) is 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one.
What is the SMILES notation for 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one?
The canonical SMILES for 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one is O=C(CCCC(F)(F)F)CNC1CC1.
What is the InChIKey of 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one?
The InChIKey is ZXNUQZXQMXYHLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14F3NO/c10-9(11,12)5-1-2-8(14)6-13-7-3-4-7/h7,13H,1-6H2.
What are the key properties of 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one?
1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one has a molecular weight of 209.21 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylamino)-6,6,6-trifluorohexan-2-one is sourced from PubChem (CID 116555164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).