(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane

C14H24F2N2 — CID 169173294

IUPAC(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane
SMILESC/C=c1/nc(C(C)(F)F)n(C)/c1=C/C.CC(C)C
InChIInChI=1S/C10H14F2N2.C4H10/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12;1-4(2)3/h5-6H,1-4H3;4H,1-3H3/b7-5+,8-6+;
InChIKeyIFDXNDRQYPSCSJ-PUFOULASSA-N
MW258.36 g/mol
LogP2.79
Rot. Bonds1

About (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane

(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane (PubChem CID 169173294) has the molecular formula C14H24F2N2 and a molecular weight of 258.36 g/mol. Its IUPAC name is (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane.

Molecular Properties

Compound Name(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane
PubChem CID169173294
Molecular FormulaC14H24F2N2
Molecular Weight258.36 g/mol
Exact Mass258.19
IUPAC Name(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane
SMILESC/C=c1/nc(C(C)(F)F)n(C)/c1=C/C.CC(C)C
InChIInChI=1S/C10H14F2N2.C4H10/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12;1-4(2)3/h5-6H,1-4H3;4H,1-3H3/b7-5+,8-6+;
InChIKeyIFDXNDRQYPSCSJ-PUFOULASSA-N
XLogP2.79
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.36
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5E)-2-ethyl-1-methyl-5-[(E)-3-(trifluoromethyl)pent-2-enylidene]-4H-imidazole
CID 146359507
(4E,5E)-4,5-di(ethylidene)-1-methyl-2-(trifluoromethyl)imidazole
CID 170191140
[[(4E,5E)-4,5-di(ethylidene)-1-methylimidazol-2-yl]-difluoromethyl]phosphane
CID 170191274
(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole
CID 169173295
(4E,5E)-2-[(E)-but-2-en-2-yl]-4,5-di(ethylidene)-1-methylimidazole
CID 142371540

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane?
The IUPAC name of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane (CID 169173294) is (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane.
What is the SMILES notation for (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane?
The canonical SMILES for (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane is C/C=c1/nc(C(C)(F)F)n(C)/c1=C/C.CC(C)C.
What is the InChIKey of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane?
The InChIKey is IFDXNDRQYPSCSJ-PUFOULASSA-N. The full InChI is InChI=1S/C10H14F2N2.C4H10/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12;1-4(2)3/h5-6H,1-4H3;4H,1-3H3/b7-5+,8-6+;.
What are the key properties of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane?
(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane has a molecular weight of 258.36 g/mol, XLogP of 2.79, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane is sourced from PubChem (CID 169173294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).