1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine

C12H14F4N2 — CID 134413230

IUPAC1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(F)(F)F)c(CN2CCNCC2)c1
InChIInChI=1S/C12H14F4N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2
InChIKeySOAZTZPSDSQIPM-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.25
Rot. Bonds2

About 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine

1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 134413230) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID134413230
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1ccc(C(F)(F)F)c(CN2CCNCC2)c1
InChIInChI=1S/C12H14F4N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2
InChIKeySOAZTZPSDSQIPM-UHFFFAOYSA-N
XLogP2.25
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 22975139
4-(piperazin-1-ylmethyl)-5-(trifluoromethyl)benzene-1,2-diol
CID 117442103
ethane;1-[(5-fluoro-2-methylphenyl)methyl]piperazine
CID 142195714
1-[[4,5-dimethoxy-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 117489558
1-[(2,4-difluorophenyl)methyl]piperazine;hydrochloride
CID 90039977
1-[[4-(trifluoromethyl)-3-pyridinyl]methyl]piperazine
CID 82622598
1-[(2-cyclopropyloxy-5-fluorophenyl)methyl]piperazine
CID 117379378
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane
CID 120834329
1-[(3-bromo-2,5-difluorophenyl)methyl]piperazine
CID 117470195
1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
CID 66842407
1-[[4-bromo-2-(trifluoromethyl)phenyl]methyl]-1,4-diazepane;hydrochloride
CID 120834328

Frequently Asked Questions

What is the IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine (CID 134413230) is 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine is Fc1ccc(C(F)(F)F)c(CN2CCNCC2)c1.
What is the InChIKey of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is SOAZTZPSDSQIPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-10-1-2-11(12(14,15)16)9(7-10)8-18-5-3-17-4-6-18/h1-2,7,17H,3-6,8H2.
What are the key properties of 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine has a molecular weight of 262.25 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 134413230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).