1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine

C12H14F4N2 — CID 66842407

IUPAC1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cccc(C(F)(F)F)c1CN1CCNCC1
InChIInChI=1S/C12H14F4N2/c13-11-3-1-2-10(12(14,15)16)9(11)8-18-6-4-17-5-7-18/h1-3,17H,4-8H2
InChIKeyBRBBZTVFKGLHKL-UHFFFAOYSA-N
MW262.25 g/mol
LogP2.25
Rot. Bonds2

About 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine

1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine (PubChem CID 66842407) has the molecular formula C12H14F4N2 and a molecular weight of 262.25 g/mol. Its IUPAC name is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine.

Molecular Properties

Compound Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
PubChem CID66842407
Molecular FormulaC12H14F4N2
Molecular Weight262.25 g/mol
Exact Mass262.11
IUPAC Name1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine
SMILESFc1cccc(C(F)(F)F)c1CN1CCNCC1
InChIInChI=1S/C12H14F4N2/c13-11-3-1-2-10(12(14,15)16)9(11)8-18-6-4-17-5-7-18/h1-3,17H,4-8H2
InChIKeyBRBBZTVFKGLHKL-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

2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenol
CID 84710181
2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)benzamide
CID 135203299
2,2-dimethyl-4-[2-(piperazin-1-ylmethyl)-3-(trifluoromethyl)phenyl]but-3-ynoic acid
CID 172858792
1-[(2-chloro-6-fluorophenyl)methyl]-1,5-diazocane
CID 95049087
1-[[5-fluoro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 134413230
1-[[7-(trifluoromethyl)-1-benzothiophen-2-yl]methyl]piperazine
CID 117196518
1-[(1S)-2-fluoro-1-[2-fluoro-6-(trifluoromethyl)phenyl]ethyl]piperazine
CID 171181975
1-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]piperazine
CID 167531096
1-[(2,6-dichlorophenyl)methyl]piperazine
CID 770796
1-[[3-(trifluoromethyl)phenyl]methyl]piperazine;dihydrochloride
CID 13458726
1-[(2-bromo-3-chloro-6-fluorophenyl)methyl]piperazine
CID 117492571
2-[2-fluoro-6-(trifluoromethyl)phenyl]ethanamine
CID 53403533

Frequently Asked Questions

What is the IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine?
The IUPAC name of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine (CID 66842407) is 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine.
What is the SMILES notation for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine?
The canonical SMILES for 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine is Fc1cccc(C(F)(F)F)c1CN1CCNCC1.
What is the InChIKey of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine?
The InChIKey is BRBBZTVFKGLHKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F4N2/c13-11-3-1-2-10(12(14,15)16)9(11)8-18-6-4-17-5-7-18/h1-3,17H,4-8H2.
What are the key properties of 1-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine?
1-[[2-fluoro-6-(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-[[2-fluoro-6-(trifluoromethyl)phenyl]methyl]piperazine is sourced from PubChem (CID 66842407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).