1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one

C12H12ClF3N2O — CID 154734264

IUPAC1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-10-2-1-9(12(14,15)16)5-8(10)7-18-4-3-17-6-11(18)19/h1-2,5,17H,3-4,6-7H2
InChIKeyORACPYWOQJOAGD-UHFFFAOYSA-N
MW292.69 g/mol
LogP2.29
Rot. Bonds2

About 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one

1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one (PubChem CID 154734264) has the molecular formula C12H12ClF3N2O and a molecular weight of 292.69 g/mol. Its IUPAC name is 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one.

Molecular Properties

Compound Name1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one
PubChem CID154734264
Molecular FormulaC12H12ClF3N2O
Molecular Weight292.69 g/mol
Exact Mass292.06
IUPAC Name1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one
SMILESO=C1CNCCN1Cc1cc(C(F)(F)F)ccc1Cl
InChIInChI=1S/C12H12ClF3N2O/c13-10-2-1-9(12(14,15)16)5-8(10)7-18-4-3-17-6-11(18)19/h1-2,5,17H,3-4,6-7H2
InChIKeyORACPYWOQJOAGD-UHFFFAOYSA-N
XLogP2.29
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.69
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-one
CID 115101791
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepan-2-one
CID 65362122
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperidine
CID 11952114
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
ethane;1-[(4-fluorophenyl)methyl]piperazin-2-one
CID 142142989
1-[(4-fluorophenyl)methyl]piperazin-2-one;2,2,2-trifluoroacetic acid
CID 171923482
1-[[5-[3,5-bis(trifluoromethyl)phenyl]-3-pyridinyl]methyl]piperazin-2-one
CID 71730382
1-[[4-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64883374
1-[(4-bromo-2-chlorophenyl)methyl]-1,4-diazepan-2-one
CID 113471437
[2-chloro-5-(trifluoromethyl)phenyl]methanesulfonate
CID 59623726
1-[[3-(trifluoromethyl)phenyl]methyl]-1,4-diazepane-2,5-dione
CID 64884561
2-amino-4-chloro-7-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]-5H-pyrrolo[2,3-d]pyrimidin-6-one
CID 162767113

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The IUPAC name of 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one (CID 154734264) is 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one.
What is the SMILES notation for 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The canonical SMILES for 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one is O=C1CNCCN1Cc1cc(C(F)(F)F)ccc1Cl.
What is the InChIKey of 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
The InChIKey is ORACPYWOQJOAGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClF3N2O/c13-10-2-1-9(12(14,15)16)5-8(10)7-18-4-3-17-6-11(18)19/h1-2,5,17H,3-4,6-7H2.
What are the key properties of 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one?
1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one has a molecular weight of 292.69 g/mol, XLogP of 2.29, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]piperazin-2-one is sourced from PubChem (CID 154734264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).