4-(2,2-difluoroacetyl)morpholine-2-carbonitrile

C7H8F2N2O2 — CID 103513782

IUPAC4-(2,2-difluoroacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H8F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-2,4H2
InChIKeyDAUHOHKIOSOLHT-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.00
Rot. Bonds1

About 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile

4-(2,2-difluoroacetyl)morpholine-2-carbonitrile (PubChem CID 103513782) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(2,2-difluoroacetyl)morpholine-2-carbonitrile
PubChem CID103513782
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name4-(2,2-difluoroacetyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)C(F)F)CCO1
InChIInChI=1S/C7H8F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-2,4H2
InChIKeyDAUHOHKIOSOLHT-UHFFFAOYSA-N
XLogP0.00
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile (CID 103513782) is 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)C(F)F)CCO1.
What is the InChIKey of 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile?
The InChIKey is DAUHOHKIOSOLHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c8-6(9)7(12)11-1-2-13-5(3-10)4-11/h5-6H,1-2,4H2.
What are the key properties of 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile?
4-(2,2-difluoroacetyl)morpholine-2-carbonitrile has a molecular weight of 190.15 g/mol, XLogP of 0.00, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroacetyl)morpholine-2-carbonitrile is sourced from PubChem (CID 103513782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).