1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine

C14H18F4N2O2 — CID 21035664

IUPAC1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine
SMILESCOCCOc1cc(F)c(N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O2/c1-21-6-7-22-13-9-11(15)12(8-10(13)14(16,17)18)20-4-2-19-3-5-20/h8-9,19H,2-7H2,1H3
InChIKeyGYCGFJUUASDJTC-UHFFFAOYSA-N
MW322.30 g/mol
LogP2.28
Rot. Bonds5

About 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine

1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 21035664) has the molecular formula C14H18F4N2O2 and a molecular weight of 322.30 g/mol. Its IUPAC name is 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine
PubChem CID21035664
Molecular FormulaC14H18F4N2O2
Molecular Weight322.30 g/mol
Exact Mass322.13
IUPAC Name1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine
SMILESCOCCOc1cc(F)c(N2CCNCC2)cc1C(F)(F)F
InChIInChI=1S/C14H18F4N2O2/c1-21-6-7-22-13-9-11(15)12(8-10(13)14(16,17)18)20-4-2-19-3-5-20/h8-9,19H,2-7H2,1H3
InChIKeyGYCGFJUUASDJTC-UHFFFAOYSA-N
XLogP2.28
TPSA33.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.30
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine (CID 21035664) is 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine is COCCOc1cc(F)c(N2CCNCC2)cc1C(F)(F)F.
What is the InChIKey of 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is GYCGFJUUASDJTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F4N2O2/c1-21-6-7-22-13-9-11(15)12(8-10(13)14(16,17)18)20-4-2-19-3-5-20/h8-9,19H,2-7H2,1H3.
What are the key properties of 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine?
1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 322.30 g/mol, XLogP of 2.28, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-fluoro-4-(2-methoxyethoxy)-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 21035664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).