1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine

C8H10F6N2 — CID 146426202

IUPAC1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCN(F)CC1
InChIInChI=1S/C8H10F6N2/c1-6(7(9,10)11)8(12,13)15-2-4-16(14)5-3-15/h1-5H2
InChIKeyFHOKQJDONGYMEW-UHFFFAOYSA-N
MW248.17 g/mol
LogP2.20
Rot. Bonds2

About 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine

1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine (PubChem CID 146426202) has the molecular formula C8H10F6N2 and a molecular weight of 248.17 g/mol. Its IUPAC name is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine.

Molecular Properties

Compound Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine
PubChem CID146426202
Molecular FormulaC8H10F6N2
Molecular Weight248.17 g/mol
Exact Mass248.07
IUPAC Name1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine
SMILESC=C(C(F)(F)F)C(F)(F)N1CCN(F)CC1
InChIInChI=1S/C8H10F6N2/c1-6(7(9,10)11)8(12,13)15-2-4-16(14)5-3-15/h1-5H2
InChIKeyFHOKQJDONGYMEW-UHFFFAOYSA-N
XLogP2.20
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.17
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine?
The IUPAC name of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine (CID 146426202) is 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine.
What is the SMILES notation for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine?
The canonical SMILES for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine is C=C(C(F)(F)F)C(F)(F)N1CCN(F)CC1.
What is the InChIKey of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine?
The InChIKey is FHOKQJDONGYMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F6N2/c1-6(7(9,10)11)8(12,13)15-2-4-16(14)5-3-15/h1-5H2.
What are the key properties of 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine?
1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine has a molecular weight of 248.17 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1,1-difluoro-2-(trifluoromethyl)prop-2-enyl]-4-fluoropiperazine is sourced from PubChem (CID 146426202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).