1-(1,2-difluoroprop-2-enyl)piperazine

C7H12F2N2 — CID 174358018

IUPAC1-(1,2-difluoroprop-2-enyl)piperazine
SMILESC=C(F)C(F)N1CCNCC1
InChIInChI=1S/C7H12F2N2/c1-6(8)7(9)11-4-2-10-3-5-11/h7,10H,1-5H2
InChIKeyXCTNCRCMRAPLQN-UHFFFAOYSA-N
MW162.18 g/mol
LogP0.67
Rot. Bonds2

About 1-(1,2-difluoroprop-2-enyl)piperazine

1-(1,2-difluoroprop-2-enyl)piperazine (PubChem CID 174358018) has the molecular formula C7H12F2N2 and a molecular weight of 162.18 g/mol. Its IUPAC name is 1-(1,2-difluoroprop-2-enyl)piperazine.

Molecular Properties

Compound Name1-(1,2-difluoroprop-2-enyl)piperazine
PubChem CID174358018
Molecular FormulaC7H12F2N2
Molecular Weight162.18 g/mol
Exact Mass162.10
IUPAC Name1-(1,2-difluoroprop-2-enyl)piperazine
SMILESC=C(F)C(F)N1CCNCC1
InChIInChI=1S/C7H12F2N2/c1-6(8)7(9)11-4-2-10-3-5-11/h7,10H,1-5H2
InChIKeyXCTNCRCMRAPLQN-UHFFFAOYSA-N
XLogP0.67
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.18
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-Allylpiperazine
CID 806422
1-(4-Fluorobut-2-enyl)piperazine
CID 139714684
N-[2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]prop-2-en-1-amine
CID 55085259
Trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide
CID 56655984
1-[(E)-4,4,4-trifluorobut-2-enyl]piperazine
CID 172004258
1-[(E)-4,4-difluorobut-2-enyl]piperazine
CID 172890853
1-Prop-2-enylpiperazin-1-ium
CID 152773705
1-prop-2-enyl-(614C)1,4-diazinane
CID 173059230
1-prop-2-enyl-(613C)1,4-diazinane
CID 173137242
Potassium trifluoro(3-piperazin-1-ylprop-1-en-2-yl)boranuide
CID 56655983

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-difluoroprop-2-enyl)piperazine?
The IUPAC name of 1-(1,2-difluoroprop-2-enyl)piperazine (CID 174358018) is 1-(1,2-difluoroprop-2-enyl)piperazine.
What is the SMILES notation for 1-(1,2-difluoroprop-2-enyl)piperazine?
The canonical SMILES for 1-(1,2-difluoroprop-2-enyl)piperazine is C=C(F)C(F)N1CCNCC1.
What is the InChIKey of 1-(1,2-difluoroprop-2-enyl)piperazine?
The InChIKey is XCTNCRCMRAPLQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2N2/c1-6(8)7(9)11-4-2-10-3-5-11/h7,10H,1-5H2.
What are the key properties of 1-(1,2-difluoroprop-2-enyl)piperazine?
1-(1,2-difluoroprop-2-enyl)piperazine has a molecular weight of 162.18 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-difluoroprop-2-enyl)piperazine is sourced from PubChem (CID 174358018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).