1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine

C13H17ClF2N2O — CID 67532229

IUPAC1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C13H17ClF2N2O/c1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)14)19-13(15)16/h3-5,13H,2,6-9H2,1H3
InChIKeyKPWOBGWCNIGZPJ-UHFFFAOYSA-N
MW290.74 g/mol
LogP3.08
Rot. Bonds4

About 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine

1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine (PubChem CID 67532229) has the molecular formula C13H17ClF2N2O and a molecular weight of 290.74 g/mol. Its IUPAC name is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine.

Molecular Properties

Compound Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine
PubChem CID67532229
Molecular FormulaC13H17ClF2N2O
Molecular Weight290.74 g/mol
Exact Mass290.10
IUPAC Name1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine
SMILESCCN1CCN(c2cccc(OC(F)F)c2Cl)CC1
InChIInChI=1S/C13H17ClF2N2O/c1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)14)19-13(15)16/h3-5,13H,2,6-9H2,1H3
InChIKeyKPWOBGWCNIGZPJ-UHFFFAOYSA-N
XLogP3.08
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.74
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine?
The IUPAC name of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine (CID 67532229) is 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine.
What is the SMILES notation for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine?
The canonical SMILES for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine is CCN1CCN(c2cccc(OC(F)F)c2Cl)CC1.
What is the InChIKey of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine?
The InChIKey is KPWOBGWCNIGZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClF2N2O/c1-2-17-6-8-18(9-7-17)10-4-3-5-11(12(10)14)19-13(15)16/h3-5,13H,2,6-9H2,1H3.
What are the key properties of 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine?
1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine has a molecular weight of 290.74 g/mol, XLogP of 3.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-3-(difluoromethoxy)phenyl]-4-ethylpiperazine is sourced from PubChem (CID 67532229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).