2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one

C7H9F6NO — CID 116593115

IUPAC2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
SMILESCC(N)(C(=O)CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c1-5(14,7(11,12)13)4(15)2-3-6(8,9)10/h2-3,14H2,1H3
InChIKeyNWDKOVSFLXQFPL-UHFFFAOYSA-N
MW237.14 g/mol
LogP2.18
Rot. Bonds3

About 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one

2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one (PubChem CID 116593115) has the molecular formula C7H9F6NO and a molecular weight of 237.14 g/mol. Its IUPAC name is 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one.

Molecular Properties

Compound Name2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
PubChem CID116593115
Molecular FormulaC7H9F6NO
Molecular Weight237.14 g/mol
Exact Mass237.06
IUPAC Name2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
SMILESCC(N)(C(=O)CCC(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H9F6NO/c1-5(14,7(11,12)13)4(15)2-3-6(8,9)10/h2-3,14H2,1H3
InChIKeyNWDKOVSFLXQFPL-UHFFFAOYSA-N
XLogP2.18
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.14
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one?
The IUPAC name of 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one (CID 116593115) is 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one.
What is the SMILES notation for 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one?
The canonical SMILES for 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one is CC(N)(C(=O)CCC(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one?
The InChIKey is NWDKOVSFLXQFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F6NO/c1-5(14,7(11,12)13)4(15)2-3-6(8,9)10/h2-3,14H2,1H3.
What are the key properties of 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one?
2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one has a molecular weight of 237.14 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one is sourced from PubChem (CID 116593115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).