1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine

C14H16ClF3N2OS — CID 69370170

IUPAC1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESO=S(c1ccccc1Cl)N1CCN(C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H16ClF3N2OS/c15-11-3-1-2-4-12(11)22(21)20-9-7-19(8-10-20)13(5-6-13)14(16,17)18/h1-4H,5-10H2
InChIKeyLTVNIVMQDIEAJC-UHFFFAOYSA-N
MW352.81 g/mol
LogP3.08
Rot. Bonds3

About 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine

1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine (PubChem CID 69370170) has the molecular formula C14H16ClF3N2OS and a molecular weight of 352.81 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine
PubChem CID69370170
Molecular FormulaC14H16ClF3N2OS
Molecular Weight352.81 g/mol
Exact Mass352.06
IUPAC Name1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine
SMILESO=S(c1ccccc1Cl)N1CCN(C2(C(F)(F)F)CC2)CC1
InChIInChI=1S/C14H16ClF3N2OS/c15-11-3-1-2-4-12(11)22(21)20-9-7-19(8-10-20)13(5-6-13)14(16,17)18/h1-4H,5-10H2
InChIKeyLTVNIVMQDIEAJC-UHFFFAOYSA-N
XLogP3.08
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.81
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine?
The IUPAC name of 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine (CID 69370170) is 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine?
The canonical SMILES for 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine is O=S(c1ccccc1Cl)N1CCN(C2(C(F)(F)F)CC2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine?
The InChIKey is LTVNIVMQDIEAJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2OS/c15-11-3-1-2-4-12(11)22(21)20-9-7-19(8-10-20)13(5-6-13)14(16,17)18/h1-4H,5-10H2.
What are the key properties of 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine?
1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine has a molecular weight of 352.81 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfinyl-4-[1-(trifluoromethyl)cyclopropyl]piperazine is sourced from PubChem (CID 69370170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).