1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine

C27H38F2N2 — CID 11247396

IUPAC1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1(F)F
InChIInChI=1S/C27H38F2N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)30-15-16-31(27(30,28)29)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3
InChIKeyQNVQPTDRHPUPHV-UHFFFAOYSA-N
MW428.61 g/mol
LogP8.06
Rot. Bonds6

About 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine

1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine (PubChem CID 11247396) has the molecular formula C27H38F2N2 and a molecular weight of 428.61 g/mol. Its IUPAC name is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine.

Molecular Properties

Compound Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine
PubChem CID11247396
Molecular FormulaC27H38F2N2
Molecular Weight428.61 g/mol
Exact Mass428.30
IUPAC Name1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine
SMILESCC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1(F)F
InChIInChI=1S/C27H38F2N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)30-15-16-31(27(30,28)29)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3
InChIKeyQNVQPTDRHPUPHV-UHFFFAOYSA-N
XLogP8.06
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.61
LogP ≤ 58.06
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 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine?
The IUPAC name of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine (CID 11247396) is 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine.
What is the SMILES notation for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine?
The canonical SMILES for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine is CC(C)c1cccc(C(C)C)c1N1CCN(c2c(C(C)C)cccc2C(C)C)C1(F)F.
What is the InChIKey of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine?
The InChIKey is QNVQPTDRHPUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H38F2N2/c1-17(2)21-11-9-12-22(18(3)4)25(21)30-15-16-31(27(30,28)29)26-23(19(5)6)13-10-14-24(26)20(7)8/h9-14,17-20H,15-16H2,1-8H3.
What are the key properties of 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine?
1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine has a molecular weight of 428.61 g/mol, XLogP of 8.06, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[2,6-di(propan-2-yl)phenyl]-2,2-difluoroimidazolidine is sourced from PubChem (CID 11247396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).