2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole

C9H3F13N2 — CID 576226

IUPAC2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C9H3F13N2/c10-4(11,3-23-1-2-24-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H,(H,23,24)
InChIKeyQEMXZVOEVBLXGU-UHFFFAOYSA-N
MW386.11 g/mol
LogP4.61
Rot. Bonds5

About 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole

2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole (PubChem CID 576226) has the molecular formula C9H3F13N2 and a molecular weight of 386.11 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole
PubChem CID576226
Molecular FormulaC9H3F13N2
Molecular Weight386.11 g/mol
Exact Mass386.01
IUPAC Name2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole
SMILESFC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1
InChIInChI=1S/C9H3F13N2/c10-4(11,3-23-1-2-24-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H,(H,23,24)
InChIKeyQEMXZVOEVBLXGU-UHFFFAOYSA-N
XLogP4.61
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.11
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole with MolForge

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Related Compounds

(3R)-4,4,5,5,5-pentafluoro-3-hydroxy-3-(1H-imidazol-2-yl)pentanoic acid
CID 97297902
(3S)-4,4,5,5,5-pentafluoro-3-hydroxy-3-(1H-imidazol-2-yl)pentanoic acid
CID 97297901
2,2-difluoro-2-(1H-imidazol-2-yl)acetic acid;hydrochloride
CID 71758072
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-pyrrole
CID 10249466
2-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1,3,5-triazine
CID 18974137
2-(1H-imidazol-2-yl)pentan-2-ol
CID 91811688
2-(2-methoxypropan-2-yl)-1H-imidazole
CID 55287404
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11,12,12,13,13,14,14,15,15,16,16,17,17,18,18,19,19,20,20,21,21,21-tetratetracontafluorohenicosane
CID 141072652
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-hexadecafluoroheptane;1,1,1,2,2,3,3,4,4,5,5,6,6,6-tetradecafluorohexane
CID 22712913
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-benzo[f]benzimidazole
CID 138756618
4-[5-(1,1,2,2,3,3,4,4,5,5,6,6,7,7,7-pentadecafluoroheptyl)-1H-1,2,4-triazol-3-yl]phenol
CID 139234292
2-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridin-3-amine
CID 152512709

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole?
The IUPAC name of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole (CID 576226) is 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole.
What is the SMILES notation for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole?
The canonical SMILES for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole is FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)c1ncc[nH]1.
What is the InChIKey of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole?
The InChIKey is QEMXZVOEVBLXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F13N2/c10-4(11,3-23-1-2-24-3)5(12,13)6(14,15)7(16,17)8(18,19)9(20,21)22/h1-2H,(H,23,24).
What are the key properties of 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole?
2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole has a molecular weight of 386.11 g/mol, XLogP of 4.61, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,4,4,5,5,6,6,6-tridecafluorohexyl)-1H-imidazole is sourced from PubChem (CID 576226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).