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

C9H11F3N2O2 — CID 79035742

IUPAC4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-8(15)14-3-4-16-7(5-13)6-14/h7H,1-4,6H2
InChIKeyMPVZFNKQKXLUCJ-UHFFFAOYSA-N
MW236.19 g/mol
LogP1.08
Rot. Bonds2

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

4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile (PubChem CID 79035742) has the molecular formula C9H11F3N2O2 and a molecular weight of 236.19 g/mol. Its IUPAC name is 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile.

Molecular Properties

Compound Name4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile
PubChem CID79035742
Molecular FormulaC9H11F3N2O2
Molecular Weight236.19 g/mol
Exact Mass236.08
IUPAC Name4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile
SMILESN#CC1CN(C(=O)CCC(F)(F)F)CCO1
InChIInChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-8(15)14-3-4-16-7(5-13)6-14/h7H,1-4,6H2
InChIKeyMPVZFNKQKXLUCJ-UHFFFAOYSA-N
XLogP1.08
TPSA53.33 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.19
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile?
The IUPAC name of 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile (CID 79035742) is 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile.
What is the SMILES notation for 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile?
The canonical SMILES for 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile is N#CC1CN(C(=O)CCC(F)(F)F)CCO1.
What is the InChIKey of 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile?
The InChIKey is MPVZFNKQKXLUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2O2/c10-9(11,12)2-1-8(15)14-3-4-16-7(5-13)6-14/h7H,1-4,6H2.
What are the key properties of 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile?
4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile has a molecular weight of 236.19 g/mol, XLogP of 1.08, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4,4-trifluorobutanoyl)morpholine-2-carbonitrile is sourced from PubChem (CID 79035742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).