4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile

C9H8F6N2O2 — CID 103309879

IUPAC4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCO1
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)6(9(13,14)15)7(18)17-1-2-19-5(3-16)4-17/h5-6H,1-2,4H2
InChIKeyHZURVZFSJQPIEK-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.48
Rot. Bonds1

About 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile

4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile (PubChem CID 103309879) has the molecular formula C9H8F6N2O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile
PubChem CID103309879
Molecular FormulaC9H8F6N2O2
Molecular Weight290.16 g/mol
Exact Mass290.05
IUPAC Name4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCO1
InChIInChI=1S/C9H8F6N2O2/c10-8(11,12)6(9(13,14)15)7(18)17-1-2-19-5(3-16)4-17/h5-6H,1-2,4H2
InChIKeyHZURVZFSJQPIEK-UHFFFAOYSA-N
XLogP1.48
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile?
The IUPAC name of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile (CID 103309879) is 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile.
What is the SMILES notation for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile?
The canonical SMILES for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile is N#CC1CN(C(=O)C(C(F)(F)F)C(F)(F)F)CCO1.
What is the InChIKey of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile?
The InChIKey is HZURVZFSJQPIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F6N2O2/c10-8(11,12)6(9(13,14)15)7(18)17-1-2-19-5(3-16)4-17/h5-6H,1-2,4H2.
What are the key properties of 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile?
4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile has a molecular weight of 290.16 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]morpholine-2-carbonitrile is sourced from PubChem (CID 103309879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).