2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one

C12H8F14N2O4 — CID 3109829

IUPAC2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)OC(F)(F)F)CC1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C12H8F14N2O4/c13-7(14,9(17,18)31-11(21,22)23)5(29)27-1-2-28(4-3-27)6(30)8(15,16)10(19,20)32-12(24,25)26/h1-4H2
InChIKeyHZGIFTAYTJUCPF-UHFFFAOYSA-N
MW510.18 g/mol
LogP3.19
Rot. Bonds6

About 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one

2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one (PubChem CID 3109829) has the molecular formula C12H8F14N2O4 and a molecular weight of 510.18 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one
PubChem CID3109829
Molecular FormulaC12H8F14N2O4
Molecular Weight510.18 g/mol
Exact Mass510.03
IUPAC Name2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one
SMILESO=C(N1CCN(C(=O)C(F)(F)C(F)(F)OC(F)(F)F)CC1)C(F)(F)C(F)(F)OC(F)(F)F
InChIInChI=1S/C12H8F14N2O4/c13-7(14,9(17,18)31-11(21,22)23)5(29)27-1-2-28(4-3-27)6(30)8(15,16)10(19,20)32-12(24,25)26/h1-4H2
InChIKeyHZGIFTAYTJUCPF-UHFFFAOYSA-N
XLogP3.19
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500510.18
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,1'-(Piperazine-1,4-diyl)bis(heptafluorobutan-1-one)
CID 628083
2,2,3,3,3-Pentafluoro-1-(4-methyl-piperazin-1-yl)-propan-1-one
CID 10105941
2,2,3,3-Tetrafluoro-1-(4-methylpiperazin-1-yl)-3-trifluoromethoxypropan-1-one
CID 550006
1,4-Bis(2,2,3,3,3-pentafluoro-1-oxopropyl)piperazine
CID 621115
2,2,3,3,3-Pentafluoro-1-(4-propylpiperazin-1-yl)propan-1-one
CID 108094661
1-(4-Ethylpiperazin-1-yl)-2,2,3,3,3-pentafluoropropan-1-one
CID 108094664
2,2,3,3-Tetrafluoro-1-(4-methylpiperazin-4-ium-1-yl)-3-(trifluoromethoxy)propan-1-one
CID 2293032
2,3,3,3-Tetrafluoro-1-[4-(2,3,3,3-tetrafluoropropanoyl)piperazino]-1-propanone
CID 19577200
2,2,3,3-Tetrafluoro-1-(4-methylpiperazin-1-yl)-3-(trifluoromethoxy)propan-1-one;hydrochloride
CID 45595877
1-(4-Acetylpiperazin-1-yl)-3,3,3-trifluoropropan-1-one
CID 45808074
1-(4-Methylpiperazin-1-yl)-3-(2,2,2-trifluoroethoxy)propan-1-one
CID 60737014
(2S)-2,3,3,3-tetrafluoro-1-[4-[(2S)-2,3,3,3-tetrafluoropropanoyl]piperazin-1-yl]propan-1-one
CID 92180994

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one?
The IUPAC name of 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one (CID 3109829) is 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one.
What is the SMILES notation for 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one?
The canonical SMILES for 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one is O=C(N1CCN(C(=O)C(F)(F)C(F)(F)OC(F)(F)F)CC1)C(F)(F)C(F)(F)OC(F)(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one?
The InChIKey is HZGIFTAYTJUCPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F14N2O4/c13-7(14,9(17,18)31-11(21,22)23)5(29)27-1-2-28(4-3-27)6(30)8(15,16)10(19,20)32-12(24,25)26/h1-4H2.
What are the key properties of 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one?
2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one has a molecular weight of 510.18 g/mol, XLogP of 3.19, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-1-[4-[2,2,3,3-tetrafluoro-3-(trifluoromethoxy)propanoyl]piperazin-1-yl]-3-(trifluoromethoxy)propan-1-one is sourced from PubChem (CID 3109829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).