1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride

C12H17ClF2N2 — CID 131731751

IUPAC1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
SMILESCC(F)(F)c1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyADHPWSZUKDJBES-UHFFFAOYSA-N
MW262.73 g/mol
LogP2.63
Rot. Bonds2

About 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride

1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride (PubChem CID 131731751) has the molecular formula C12H17ClF2N2 and a molecular weight of 262.73 g/mol. Its IUPAC name is 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
PubChem CID131731751
Molecular FormulaC12H17ClF2N2
Molecular Weight262.73 g/mol
Exact Mass262.10
IUPAC Name1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
SMILESCC(F)(F)c1cccc(N2CCNCC2)c1.Cl
InChIInChI=1S/C12H16F2N2.ClH/c1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;/h2-4,9,15H,5-8H2,1H3;1H
InChIKeyADHPWSZUKDJBES-UHFFFAOYSA-N
XLogP2.63
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.73
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride?
The IUPAC name of 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride (CID 131731751) is 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride?
The canonical SMILES for 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride is CC(F)(F)c1cccc(N2CCNCC2)c1.Cl.
What is the InChIKey of 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride?
The InChIKey is ADHPWSZUKDJBES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2.ClH/c1-12(13,14)10-3-2-4-11(9-10)16-7-5-15-6-8-16;/h2-4,9,15H,5-8H2,1H3;1H.
What are the key properties of 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride?
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride has a molecular weight of 262.73 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride is sourced from PubChem (CID 131731751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).