1-[(E)-4,4-difluorobut-2-enyl]piperazine

C8H14F2N2 — CID 172890853

IUPAC1-[(E)-4,4-difluorobut-2-enyl]piperazine
SMILESFC(F)/C=C/CN1CCNCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)2-1-5-12-6-3-11-4-7-12/h1-2,8,11H,3-7H2/b2-1+
InChIKeyOERCSKAHAJBTQJ-OWOJBTEDSA-N
MW176.21 g/mol
LogP0.71
Rot. Bonds3

About 1-[(E)-4,4-difluorobut-2-enyl]piperazine

1-[(E)-4,4-difluorobut-2-enyl]piperazine (PubChem CID 172890853) has the molecular formula C8H14F2N2 and a molecular weight of 176.21 g/mol. Its IUPAC name is 1-[(E)-4,4-difluorobut-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(E)-4,4-difluorobut-2-enyl]piperazine
PubChem CID172890853
Molecular FormulaC8H14F2N2
Molecular Weight176.21 g/mol
Exact Mass176.11
IUPAC Name1-[(E)-4,4-difluorobut-2-enyl]piperazine
SMILESFC(F)/C=C/CN1CCNCC1
InChIInChI=1S/C8H14F2N2/c9-8(10)2-1-5-12-6-3-11-4-7-12/h1-2,8,11H,3-7H2/b2-1+
InChIKeyOERCSKAHAJBTQJ-OWOJBTEDSA-N
XLogP0.71
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.21
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 806422
1-[2-(Diallylamino)-ethyl]-piperazine
CID 2735924
1-(4-Fluorobut-2-enyl)piperazine
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1-[(Z)-6,6,6-trifluorohex-3-enyl]piperazine
CID 167210269
1-(1,2-Difluoroprop-2-enyl)piperazine
CID 174358018
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259
N'-ethyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62555964
N-prop-2-enyl-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propan-1-amine
CID 62556969
N'-methyl-N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 62560286
4-[4-(2,2,2-Trifluoroethyl)piperazin-1-yl]but-2-en-1-amine
CID 77110496
N',N'-bis(prop-2-enyl)-N-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79260759
N-prop-2-enyl-N'-(2,2,2-trifluoroethyl)ethane-1,2-diamine
CID 79278814

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-4,4-difluorobut-2-enyl]piperazine?
The IUPAC name of 1-[(E)-4,4-difluorobut-2-enyl]piperazine (CID 172890853) is 1-[(E)-4,4-difluorobut-2-enyl]piperazine.
What is the SMILES notation for 1-[(E)-4,4-difluorobut-2-enyl]piperazine?
The canonical SMILES for 1-[(E)-4,4-difluorobut-2-enyl]piperazine is FC(F)/C=C/CN1CCNCC1.
What is the InChIKey of 1-[(E)-4,4-difluorobut-2-enyl]piperazine?
The InChIKey is OERCSKAHAJBTQJ-OWOJBTEDSA-N. The full InChI is InChI=1S/C8H14F2N2/c9-8(10)2-1-5-12-6-3-11-4-7-12/h1-2,8,11H,3-7H2/b2-1+.
What are the key properties of 1-[(E)-4,4-difluorobut-2-enyl]piperazine?
1-[(E)-4,4-difluorobut-2-enyl]piperazine has a molecular weight of 176.21 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-4,4-difluorobut-2-enyl]piperazine is sourced from PubChem (CID 172890853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).