2-butyl-1-methylimidazole;fluoroform

C9H15F3N2 — CID 162050255

IUPAC2-butyl-1-methylimidazole;fluoroform
SMILESCCCCc1nccn1C.FC(F)F
InChIInChI=1S/C8H14N2.CHF3/c1-3-4-5-8-9-6-7-10(8)2;2-1(3)4/h6-7H,3-5H2,1-2H3;1H
InChIKeyYYLLBXMSPPCVRK-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.94
Rot. Bonds3

About 2-butyl-1-methylimidazole;fluoroform

2-butyl-1-methylimidazole;fluoroform (PubChem CID 162050255) has the molecular formula C9H15F3N2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 2-butyl-1-methylimidazole;fluoroform.

Molecular Properties

Compound Name2-butyl-1-methylimidazole;fluoroform
PubChem CID162050255
Molecular FormulaC9H15F3N2
Molecular Weight208.23 g/mol
Exact Mass208.12
IUPAC Name2-butyl-1-methylimidazole;fluoroform
SMILESCCCCc1nccn1C.FC(F)F
InChIInChI=1S/C8H14N2.CHF3/c1-3-4-5-8-9-6-7-10(8)2;2-1(3)4/h6-7H,3-5H2,1-2H3;1H
InChIKeyYYLLBXMSPPCVRK-UHFFFAOYSA-N
XLogP2.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-butyl-1-methylimidazole;propan-2-ol;hydrochloride
CID 175427574
1-methyl-2-nonylimidazole
CID 67393993
1-methyl-2-pentadecylimidazole
CID 68899434
1-methyl-2-[3-(1-methylimidazol-2-yl)propyl]imidazole
CID 67392091
alumane;2-hexyl-1-methylimidazole;tetrahydrochloride
CID 174887731
(Z)-but-2-enedioic acid;2-butyl-1-methylimidazole
CID 174928175
azane;1-methyl-2-propylimidazole
CID 174525892
methanamine;1-methyl-2-propylimidazole
CID 164902083
2-(4-bromoheptyl)-1-methylimidazole
CID 79761944
N,N-bis[3-(1-methylimidazol-2-yl)propyl]heptan-1-amine
CID 140833514
7-(1-methylimidazol-2-yl)heptan-3-ol
CID 114532166
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-methylimidazole;fluoroform?
The IUPAC name of 2-butyl-1-methylimidazole;fluoroform (CID 162050255) is 2-butyl-1-methylimidazole;fluoroform.
What is the SMILES notation for 2-butyl-1-methylimidazole;fluoroform?
The canonical SMILES for 2-butyl-1-methylimidazole;fluoroform is CCCCc1nccn1C.FC(F)F.
What is the InChIKey of 2-butyl-1-methylimidazole;fluoroform?
The InChIKey is YYLLBXMSPPCVRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2.CHF3/c1-3-4-5-8-9-6-7-10(8)2;2-1(3)4/h6-7H,3-5H2,1-2H3;1H.
What are the key properties of 2-butyl-1-methylimidazole;fluoroform?
2-butyl-1-methylimidazole;fluoroform has a molecular weight of 208.23 g/mol, XLogP of 2.94, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-methylimidazole;fluoroform is sourced from PubChem (CID 162050255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).