1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine

C11H11F5N2 — CID 176727239

IUPAC1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(N2CCNCC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C11H11F5N2/c12-8-5-7(18-3-1-17-2-4-18)6-9(13)10(8)11(14,15)16/h5-6,17H,1-4H2
InChIKeyIXIHLIBANCQMFJ-UHFFFAOYSA-N
MW266.21 g/mol
LogP2.39
Rot. Bonds1

About 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine

1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine (PubChem CID 176727239) has the molecular formula C11H11F5N2 and a molecular weight of 266.21 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
PubChem CID176727239
Molecular FormulaC11H11F5N2
Molecular Weight266.21 g/mol
Exact Mass266.08
IUPAC Name1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
SMILESFc1cc(N2CCNCC2)cc(F)c1C(F)(F)F
InChIInChI=1S/C11H11F5N2/c12-8-5-7(18-3-1-17-2-4-18)6-9(13)10(8)11(14,15)16/h5-6,17H,1-4H2
InChIKeyIXIHLIBANCQMFJ-UHFFFAOYSA-N
XLogP2.39
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.21
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chloro-3,5-difluorophenyl)piperazine
CID 84795776
1-(3,4-difluorophenyl)piperazine
CID 2783122
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
CID 162584678
1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
1-(3,4-difluoro-5-methoxyphenyl)piperazine;ethane
CID 145414301
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
1-[4-bromo-3-(trifluoromethyl)phenyl]piperazine
CID 56984078
1-(3,5-dibromophenyl)piperazine
CID 21331858
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[2-(trifluoromethyl)-4-pyridinyl]piperazine;dihydrochloride
CID 154825576
1-(2,3,5,6-tetrafluorophenyl)piperazine
CID 21363751

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine (CID 176727239) is 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine is Fc1cc(N2CCNCC2)cc(F)c1C(F)(F)F.
What is the InChIKey of 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine?
The InChIKey is IXIHLIBANCQMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F5N2/c12-8-5-7(18-3-1-17-2-4-18)6-9(13)10(8)11(14,15)16/h5-6,17H,1-4H2.
What are the key properties of 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine?
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine has a molecular weight of 266.21 g/mol, XLogP of 2.39, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 176727239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).