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

C10H14F2N2 — CID 169173295

IUPAC(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=c1/nc(C(C)(F)F)n(C)/c1=C/C
InChIInChI=1S/C10H14F2N2/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyKOUBYLYMVSRQMG-KQQUZDAGSA-N
MW200.23 g/mol
LogP1.13
Rot. Bonds1

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

(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole (PubChem CID 169173295) has the molecular formula C10H14F2N2 and a molecular weight of 200.23 g/mol. Its IUPAC name is (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole.

Molecular Properties

Compound Name(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole
PubChem CID169173295
Molecular FormulaC10H14F2N2
Molecular Weight200.23 g/mol
Exact Mass200.11
IUPAC Name(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole
SMILESC/C=c1/nc(C(C)(F)F)n(C)/c1=C/C
InChIInChI=1S/C10H14F2N2/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12/h5-6H,1-4H3/b7-5+,8-6+
InChIKeyKOUBYLYMVSRQMG-KQQUZDAGSA-N
XLogP1.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.23
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(Z,4E)-4-(2,3-dimethyl-4H-imidazol-5-ylidene)-1,1,1-trifluorobut-2-en-2-yl]methanimine
CID 137468195
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole;ethane
CID 169159777
(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole;2-methylpropane
CID 169173294
(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)-5-ethylidene-1-methyl-4-propylidene-2-(trifluoromethyl)imidazole
CID 170191493
2-(1,1-Difluoroethyl)-1-methyl-5,6-dihydrobenzimidazole
CID 169159778
(4Z)-4-ethylidene-1,2-dimethyl-5-methylideneimidazole
CID 168727601

Frequently Asked Questions

What is the IUPAC name of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole?
The IUPAC name of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole (CID 169173295) is (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole.
What is the SMILES notation for (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole?
The canonical SMILES for (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole is C/C=c1/nc(C(C)(F)F)n(C)/c1=C/C.
What is the InChIKey of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole?
The InChIKey is KOUBYLYMVSRQMG-KQQUZDAGSA-N. The full InChI is InChI=1S/C10H14F2N2/c1-5-7-8(6-2)14(4)9(13-7)10(3,11)12/h5-6H,1-4H3/b7-5+,8-6+.
What are the key properties of (4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole?
(4E,5E)-2-(1,1-difluoroethyl)-4,5-di(ethylidene)-1-methylimidazole has a molecular weight of 200.23 g/mol, XLogP of 1.13, 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 is sourced from PubChem (CID 169173295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).