2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one

C9H16F3NO — CID 116566218

IUPAC2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one
SMILESCCNC(C)(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-13-8(2,3)7(14)5-6-9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyDEDDULVLCBCYDY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.29
Rot. Bonds5

About 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one

2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one (PubChem CID 116566218) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one.

Molecular Properties

Compound Name2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one
PubChem CID116566218
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one
SMILESCCNC(C)(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-4-13-8(2,3)7(14)5-6-9(10,11)12/h13H,4-6H2,1-3H3
InChIKeyDEDDULVLCBCYDY-UHFFFAOYSA-N
XLogP2.29
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
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 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one?
The IUPAC name of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one (CID 116566218) is 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one.
What is the SMILES notation for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one?
The canonical SMILES for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one is CCNC(C)(C)C(=O)CCC(F)(F)F.
What is the InChIKey of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one?
The InChIKey is DEDDULVLCBCYDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-4-13-8(2,3)7(14)5-6-9(10,11)12/h13H,4-6H2,1-3H3.
What are the key properties of 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one?
2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one has a molecular weight of 211.23 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-6,6,6-trifluoro-2-methylhexan-3-one is sourced from PubChem (CID 116566218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).