1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile

C9H10F4N2O — CID 103733367

IUPAC1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H10F4N2O/c10-7(11)9(12,13)8(16)15-3-1-6(5-14)2-4-15/h6-7H,1-4H2
InChIKeyGAWGRYAEMURGSJ-UHFFFAOYSA-N
MW238.18 g/mol
LogP1.65
Rot. Bonds2

About 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile

1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile (PubChem CID 103733367) has the molecular formula C9H10F4N2O and a molecular weight of 238.18 g/mol. Its IUPAC name is 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
PubChem CID103733367
Molecular FormulaC9H10F4N2O
Molecular Weight238.18 g/mol
Exact Mass238.07
IUPAC Name1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile
SMILESN#CC1CCN(C(=O)C(F)(F)C(F)F)CC1
InChIInChI=1S/C9H10F4N2O/c10-7(11)9(12,13)8(16)15-3-1-6(5-14)2-4-15/h6-7H,1-4H2
InChIKeyGAWGRYAEMURGSJ-UHFFFAOYSA-N
XLogP1.65
TPSA44.10 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.18
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile?
The IUPAC name of 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile (CID 103733367) is 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile.
What is the SMILES notation for 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile?
The canonical SMILES for 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile is N#CC1CCN(C(=O)C(F)(F)C(F)F)CC1.
What is the InChIKey of 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile?
The InChIKey is GAWGRYAEMURGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4N2O/c10-7(11)9(12,13)8(16)15-3-1-6(5-14)2-4-15/h6-7H,1-4H2.
What are the key properties of 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile?
1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile has a molecular weight of 238.18 g/mol, XLogP of 1.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,3,3-tetrafluoropropanoyl)piperidine-4-carbonitrile is sourced from PubChem (CID 103733367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).