1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole

C11H21FN2 — CID 140638391

IUPAC1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole
SMILESCC(C)C1N=CN(CCF)C1C(C)C
InChIInChI=1S/C11H21FN2/c1-8(2)10-11(9(3)4)14(6-5-12)7-13-10/h7-11H,5-6H2,1-4H3
InChIKeyJKRIWURXYWKLMQ-UHFFFAOYSA-N
MW200.30 g/mol
LogP2.35
Rot. Bonds4

About 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole

1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole (PubChem CID 140638391) has the molecular formula C11H21FN2 and a molecular weight of 200.30 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole
PubChem CID140638391
Molecular FormulaC11H21FN2
Molecular Weight200.30 g/mol
Exact Mass200.17
IUPAC Name1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole
SMILESCC(C)C1N=CN(CCF)C1C(C)C
InChIInChI=1S/C11H21FN2/c1-8(2)10-11(9(3)4)14(6-5-12)7-13-10/h7-11H,5-6H2,1-4H3
InChIKeyJKRIWURXYWKLMQ-UHFFFAOYSA-N
XLogP2.35
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.30
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole (CID 140638391) is 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole is CC(C)C1N=CN(CCF)C1C(C)C.
What is the InChIKey of 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole?
The InChIKey is JKRIWURXYWKLMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21FN2/c1-8(2)10-11(9(3)4)14(6-5-12)7-13-10/h7-11H,5-6H2,1-4H3.
What are the key properties of 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole?
1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole has a molecular weight of 200.30 g/mol, XLogP of 2.35, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4,5-di(propan-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 140638391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).