2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine

C12H14F4N2 — CID 83325529

IUPAC2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
SMILESCN1CCNCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2/c1-18-5-4-17-7-11(18)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6,11,17H,4-5,7H2,1H3
InChIKeyOUMXEJWKJMVNHU-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.42
Rot. Bonds1

About 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine

2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine (PubChem CID 83325529) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine.

Molecular Properties

Compound Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
PubChem CID83325529
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine
SMILESCN1CCNCC1c1ccc(F)c(C(F)(F)F)c1
InChIInChI=1S/C12H14F4N2/c1-18-5-4-17-7-11(18)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6,11,17H,4-5,7H2,1H3
InChIKeyOUMXEJWKJMVNHU-UHFFFAOYSA-N
XLogP2.42
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine?
The IUPAC name of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine (CID 83325529) is 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine.
What is the SMILES notation for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine?
The canonical SMILES for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine is CN1CCNCC1c1ccc(F)c(C(F)(F)F)c1.
What is the InChIKey of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine?
The InChIKey is OUMXEJWKJMVNHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c1-18-5-4-17-7-11(18)8-2-3-10(13)9(6-8)12(14,15)16/h2-3,6,11,17H,4-5,7H2,1H3.
What are the key properties of 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine?
2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine has a molecular weight of 262.25 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-3-(trifluoromethyl)phenyl]-1-methylpiperazine is sourced from PubChem (CID 83325529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).