ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one

C8H14F3NO2 — CID 178160556

IUPACethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC.CC1OC(C(F)(F)F)CNC1=O
InChIInChI=1S/C6H8F3NO2.C2H6/c1-3-5(11)10-2-4(12-3)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,11);1-2H3
InChIKeyLMSGIRBNKMQULX-UHFFFAOYSA-N
MW213.20 g/mol
LogP1.48
Rot. Bonds

About ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one

ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one (PubChem CID 178160556) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one.

Molecular Properties

Compound Nameethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
PubChem CID178160556
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Nameethane;2-methyl-6-(trifluoromethyl)morpholin-3-one
SMILESCC.CC1OC(C(F)(F)F)CNC1=O
InChIInChI=1S/C6H8F3NO2.C2H6/c1-3-5(11)10-2-4(12-3)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,11);1-2H3
InChIKeyLMSGIRBNKMQULX-UHFFFAOYSA-N
XLogP1.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one?
The IUPAC name of ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one (CID 178160556) is ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one.
What is the SMILES notation for ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one?
The canonical SMILES for ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one is CC.CC1OC(C(F)(F)F)CNC1=O.
What is the InChIKey of ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one?
The InChIKey is LMSGIRBNKMQULX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO2.C2H6/c1-3-5(11)10-2-4(12-3)6(7,8)9;1-2/h3-4H,2H2,1H3,(H,10,11);1-2H3.
What are the key properties of ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one?
ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one has a molecular weight of 213.20 g/mol, XLogP of 1.48, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-methyl-6-(trifluoromethyl)morpholin-3-one is sourced from PubChem (CID 178160556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).