2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole

C13H19F3N2 — CID 151519521

IUPAC2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
SMILESCC(C)=CCCC(C)Cc1nccn1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-10(2)5-4-6-11(3)9-12-17-7-8-18(12)13(14,15)16/h5,7-8,11H,4,6,9H2,1-3H3
InChIKeyPUELMEVHBIPFDS-UHFFFAOYSA-N
MW260.30 g/mol
LogP4.28
Rot. Bonds5

About 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole

2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole (PubChem CID 151519521) has the molecular formula C13H19F3N2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole.

Molecular Properties

Compound Name2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
PubChem CID151519521
Molecular FormulaC13H19F3N2
Molecular Weight260.30 g/mol
Exact Mass260.15
IUPAC Name2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole
SMILESCC(C)=CCCC(C)Cc1nccn1C(F)(F)F
InChIInChI=1S/C13H19F3N2/c1-10(2)5-4-6-11(3)9-12-17-7-8-18(12)13(14,15)16/h5,7-8,11H,4,6,9H2,1-3H3
InChIKeyPUELMEVHBIPFDS-UHFFFAOYSA-N
XLogP4.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-propyl-1-(trifluoromethyl)imidazole
CID 142926111
[1-(trifluoromethyl)imidazol-2-yl]methanamine;hydrochloride
CID 155970532
2-(3,7-dimethyloct-6-enoxy)pyrimidine
CID 139618937
(2R)-2,6-dimethylhept-5-en-1-amine
CID 163211564
5-(1-ethylimidazol-2-yl)-4-methylpentan-2-one
CID 79760691
(6S)-2,6-dimethyl-8-methylselanyloct-2-ene
CID 101158479
(6R)-2,6-dimethyl-8,8-bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 90238868
(6S)-8-bromo-2,6-dimethyloct-2-ene
CID 10900106
CID 173125400
CID 173125400
(6S)-8-bromo-2,6-dimethyloct-2-ene;8-bromo-2,6-dimethyloct-2-ene
CID 131736485
5,9-dimethyldeca-1,8-diene
CID 12578605
1-[(2R)-2,6-dimethylhept-5-enyl]-4-(4-fluorophenyl)piperazine
CID 756886

Frequently Asked Questions

What is the IUPAC name of 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole?
The IUPAC name of 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole (CID 151519521) is 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole.
What is the SMILES notation for 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole?
The canonical SMILES for 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole is CC(C)=CCCC(C)Cc1nccn1C(F)(F)F.
What is the InChIKey of 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole?
The InChIKey is PUELMEVHBIPFDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19F3N2/c1-10(2)5-4-6-11(3)9-12-17-7-8-18(12)13(14,15)16/h5,7-8,11H,4,6,9H2,1-3H3.
What are the key properties of 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole?
2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole has a molecular weight of 260.30 g/mol, XLogP of 4.28, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,6-dimethylhept-5-enyl)-1-(trifluoromethyl)imidazole is sourced from PubChem (CID 151519521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).