2,2-difluoro-1,3-bis(prop-2-enyl)imidazole

C9H12F2N2 — CID 140994784

IUPAC2,2-difluoro-1,3-bis(prop-2-enyl)imidazole
SMILESC=CCN1C=CN(CC=C)C1(F)F
InChIInChI=1S/C9H12F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h3-4,7-8H,1-2,5-6H2
InChIKeyPMBVYTFLWMHVTB-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.00
Rot. Bonds4

About 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole

2,2-difluoro-1,3-bis(prop-2-enyl)imidazole (PubChem CID 140994784) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole.

Molecular Properties

Compound Name2,2-difluoro-1,3-bis(prop-2-enyl)imidazole
PubChem CID140994784
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name2,2-difluoro-1,3-bis(prop-2-enyl)imidazole
SMILESC=CCN1C=CN(CC=C)C1(F)F
InChIInChI=1S/C9H12F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h3-4,7-8H,1-2,5-6H2
InChIKeyPMBVYTFLWMHVTB-UHFFFAOYSA-N
XLogP2.00
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.00
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'}

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole?
The IUPAC name of 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole (CID 140994784) is 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole.
What is the SMILES notation for 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole?
The canonical SMILES for 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole is C=CCN1C=CN(CC=C)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole?
The InChIKey is PMBVYTFLWMHVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h3-4,7-8H,1-2,5-6H2.
What are the key properties of 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole?
2,2-difluoro-1,3-bis(prop-2-enyl)imidazole has a molecular weight of 186.20 g/mol, XLogP of 2.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1,3-bis(prop-2-enyl)imidazole is sourced from PubChem (CID 140994784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).