4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile

C8H8F4N2O2 — CID 103733608

IUPAC4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C8H8F4N2O2/c9-6(10)8(11,12)7(15)14-1-2-16-5(3-13)4-14/h5-6H,1-2,4H2
InChIKeyDMTJIVJTHFVBET-UHFFFAOYSA-N
MW240.16 g/mol
LogP0.64
Rot. Bonds2

About 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile

4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile (PubChem CID 103733608) has the molecular formula C8H8F4N2O2 and a molecular weight of 240.16 g/mol. Its IUPAC name is 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile
PubChem CID103733608
Molecular FormulaC8H8F4N2O2
Molecular Weight240.16 g/mol
Exact Mass240.05
IUPAC Name4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(F)(F)C(F)F)CCO1
InChIInChI=1S/C8H8F4N2O2/c9-6(10)8(11,12)7(15)14-1-2-16-5(3-13)4-14/h5-6H,1-2,4H2
InChIKeyDMTJIVJTHFVBET-UHFFFAOYSA-N
XLogP0.64
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.16
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile (CID 103733608) is 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C(F)(F)C(F)F)CCO1.
What is the InChIKey of 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile?
The InChIKey is DMTJIVJTHFVBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F4N2O2/c9-6(10)8(11,12)7(15)14-1-2-16-5(3-13)4-14/h5-6H,1-2,4H2.
What are the key properties of 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile?
4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile has a molecular weight of 240.16 g/mol, XLogP of 0.64, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,3,3-tetrafluoropropanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 103733608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).