2,2-difluoro-1,3-dipropylimidazole

C9H16F2N2 — CID 140994787

IUPAC2,2-difluoro-1,3-dipropylimidazole
SMILESCCCN1C=CN(CCC)C1(F)F
InChIInChI=1S/C9H16F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h7-8H,3-6H2,1-2H3
InChIKeyVJQZDWCCPPNHIQ-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.45
Rot. Bonds4

About 2,2-difluoro-1,3-dipropylimidazole

2,2-difluoro-1,3-dipropylimidazole (PubChem CID 140994787) has the molecular formula C9H16F2N2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 2,2-difluoro-1,3-dipropylimidazole.

Molecular Properties

Compound Name2,2-difluoro-1,3-dipropylimidazole
PubChem CID140994787
Molecular FormulaC9H16F2N2
Molecular Weight190.24 g/mol
Exact Mass190.13
IUPAC Name2,2-difluoro-1,3-dipropylimidazole
SMILESCCCN1C=CN(CCC)C1(F)F
InChIInChI=1S/C9H16F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h7-8H,3-6H2,1-2H3
InChIKeyVJQZDWCCPPNHIQ-UHFFFAOYSA-N
XLogP2.45
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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-dipropylimidazole?
The IUPAC name of 2,2-difluoro-1,3-dipropylimidazole (CID 140994787) is 2,2-difluoro-1,3-dipropylimidazole.
What is the SMILES notation for 2,2-difluoro-1,3-dipropylimidazole?
The canonical SMILES for 2,2-difluoro-1,3-dipropylimidazole is CCCN1C=CN(CCC)C1(F)F.
What is the InChIKey of 2,2-difluoro-1,3-dipropylimidazole?
The InChIKey is VJQZDWCCPPNHIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2N2/c1-3-5-12-7-8-13(6-4-2)9(12,10)11/h7-8H,3-6H2,1-2H3.
What are the key properties of 2,2-difluoro-1,3-dipropylimidazole?
2,2-difluoro-1,3-dipropylimidazole has a molecular weight of 190.24 g/mol, XLogP of 2.45, 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-dipropylimidazole is sourced from PubChem (CID 140994787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).