2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one

C13H14F4N2O — CID 2250860

IUPAC2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)19-8-6-18(7-9-19)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyKGSPNMGKZDZMOY-UHFFFAOYSA-N
MW290.26 g/mol
LogP2.24
Rot. Bonds3

About 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one

2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one (PubChem CID 2250860) has the molecular formula C13H14F4N2O and a molecular weight of 290.26 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
PubChem CID2250860
Molecular FormulaC13H14F4N2O
Molecular Weight290.26 g/mol
Exact Mass290.10
IUPAC Name2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one
SMILESO=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F
InChIInChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)19-8-6-18(7-9-19)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyKGSPNMGKZDZMOY-UHFFFAOYSA-N
XLogP2.24
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.26
LogP ≤ 52.24
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 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one (CID 2250860) is 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one is O=C(N1CCN(c2ccccc2)CC1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
The InChIKey is KGSPNMGKZDZMOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F4N2O/c14-11(15)13(16,17)12(20)19-8-6-18(7-9-19)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one?
2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one has a molecular weight of 290.26 g/mol, XLogP of 2.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-(4-phenylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 2250860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).