6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one

C10H16F3NO2 — CID 116595781

IUPAC6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1COCCN1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)3-1-2-9(15)6-8-7-16-5-4-14-8/h8,14H,1-7H2
InChIKeyQMYIFNNZMKODAN-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.67
Rot. Bonds5

About 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one

6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one (PubChem CID 116595781) has the molecular formula C10H16F3NO2 and a molecular weight of 239.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one
PubChem CID116595781
Molecular FormulaC10H16F3NO2
Molecular Weight239.24 g/mol
Exact Mass239.11
IUPAC Name6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one
SMILESO=C(CCCC(F)(F)F)CC1COCCN1
InChIInChI=1S/C10H16F3NO2/c11-10(12,13)3-1-2-9(15)6-8-7-16-5-4-14-8/h8,14H,1-7H2
InChIKeyQMYIFNNZMKODAN-UHFFFAOYSA-N
XLogP1.67
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one?
The IUPAC name of 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one (CID 116595781) is 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one is O=C(CCCC(F)(F)F)CC1COCCN1.
What is the InChIKey of 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one?
The InChIKey is QMYIFNNZMKODAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO2/c11-10(12,13)3-1-2-9(15)6-8-7-16-5-4-14-8/h8,14H,1-7H2.
What are the key properties of 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one?
6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one has a molecular weight of 239.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-morpholin-3-ylhexan-2-one is sourced from PubChem (CID 116595781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).