1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione

C18H10Cl2F6N2O2 — CID 126243563

IUPAC1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)CN1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H10Cl2F6N2O2/c19-13-3-1-9(5-11(13)17(21,22)23)27-7-16(30)28(8-15(27)29)10-2-4-14(20)12(6-10)18(24,25)26/h1-6H,7-8H2
InChIKeyUCTIOXJKFKHQTC-UHFFFAOYSA-N
MW471.18 g/mol
LogP5.41
Rot. Bonds2

About 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione

1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione (PubChem CID 126243563) has the molecular formula C18H10Cl2F6N2O2 and a molecular weight of 471.18 g/mol. Its IUPAC name is 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione.

Molecular Properties

Compound Name1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
PubChem CID126243563
Molecular FormulaC18H10Cl2F6N2O2
Molecular Weight471.18 g/mol
Exact Mass470.00
IUPAC Name1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione
SMILESO=C1CN(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)CN1c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C18H10Cl2F6N2O2/c19-13-3-1-9(5-11(13)17(21,22)23)27-7-16(30)28(8-15(27)29)10-2-4-14(20)12(6-10)18(24,25)26/h1-6H,7-8H2
InChIKeyUCTIOXJKFKHQTC-UHFFFAOYSA-N
XLogP5.41
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.18
LogP ≤ 55.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[4-chloro-3-(trifluoromethyl)phenyl]aziridine
CID 134445527
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole-2,5-dione
CID 3729076
3-[4-chloro-3-(trifluoromethyl)phenyl]-4H-1,3-benzoxazin-2-one
CID 154678653
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 3508914
1-[4-chloro-3-(trifluoromethyl)phenyl]pyrrole
CID 4715179
(1R,2S,6S,7R,8S,10R)-4-[4-chloro-3-(trifluoromethyl)phenyl]-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 100811571
1-[4-chloro-3-(trifluoromethyl)phenyl]-N,N-diethyl-5-oxopyrrolidine-3-carboxamide
CID 113190810
(3aR,7aR)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005425
(3aR,7aS)-2-[4-chloro-3-(trifluoromethyl)phenyl]-5,6-dimethyl-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 1005426
2-[4-chloro-3-(trifluoromethyl)phenyl]-1,3-dihydroisoindol-4-amine
CID 43370032
1-[4-bromo-3-(trifluoromethyl)phenyl]pyrrolidine-2,4-dione
CID 79517290
1-[4-chloro-3-(trifluoromethyl)phenyl]-3-piperazin-1-ylpyrrolidine-2,5-dione
CID 54773614

Frequently Asked Questions

What is the IUPAC name of 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The IUPAC name of 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione (CID 126243563) is 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione.
What is the SMILES notation for 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The canonical SMILES for 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione is O=C1CN(c2ccc(Cl)c(C(F)(F)F)c2)C(=O)CN1c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
The InChIKey is UCTIOXJKFKHQTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl2F6N2O2/c19-13-3-1-9(5-11(13)17(21,22)23)27-7-16(30)28(8-15(27)29)10-2-4-14(20)12(6-10)18(24,25)26/h1-6H,7-8H2.
What are the key properties of 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione?
1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione has a molecular weight of 471.18 g/mol, XLogP of 5.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-bis[4-chloro-3-(trifluoromethyl)phenyl]piperazine-2,5-dione is sourced from PubChem (CID 126243563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).