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

C14H18F4N2 — CID 139958043

IUPAC1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-10(2)19-5-7-20(8-6-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOZEUHNMSBLLOJM-UHFFFAOYSA-N
MW290.30 g/mol
LogP3.37
Rot. Bonds2

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

1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine (PubChem CID 139958043) has the molecular formula C14H18F4N2 and a molecular weight of 290.30 g/mol. Its IUPAC name is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine.

Molecular Properties

Compound Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
PubChem CID139958043
Molecular FormulaC14H18F4N2
Molecular Weight290.30 g/mol
Exact Mass290.14
IUPAC Name1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine
SMILESCC(C)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1
InChIInChI=1S/C14H18F4N2/c1-10(2)19-5-7-20(8-6-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,9-10H,5-8H2,1-2H3
InChIKeyOZEUHNMSBLLOJM-UHFFFAOYSA-N
XLogP3.37
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.30
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine?
The IUPAC name of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine (CID 139958043) is 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine.
What is the SMILES notation for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine?
The canonical SMILES for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine is CC(C)N1CCN(c2ccc(F)c(C(F)(F)F)c2)CC1.
What is the InChIKey of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine?
The InChIKey is OZEUHNMSBLLOJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2/c1-10(2)19-5-7-20(8-6-19)11-3-4-13(15)12(9-11)14(16,17)18/h3-4,9-10H,5-8H2,1-2H3.
What are the key properties of 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine?
1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine has a molecular weight of 290.30 g/mol, XLogP of 3.37, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-fluoro-3-(trifluoromethyl)phenyl]-4-propan-2-ylpiperazine is sourced from PubChem (CID 139958043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).