ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole

C12H17F5N2 — CID 176659830

IUPACethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
SMILESC=c1cnn(CCC(F)(F)C(F)(F)F)/c1=C/C.CC
InChIInChI=1S/C10H11F5N2.C2H6/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15;1-2/h3,6H,2,4-5H2,1H3;1-2H3/b8-3+;
InChIKeyLFFUGLPDQGTJRD-DCDCITSCSA-N
MW284.27 g/mol
LogP2.71
Rot. Bonds3

About ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole

ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole (PubChem CID 176659830) has the molecular formula C12H17F5N2 and a molecular weight of 284.27 g/mol. Its IUPAC name is ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole.

Molecular Properties

Compound Nameethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
PubChem CID176659830
Molecular FormulaC12H17F5N2
Molecular Weight284.27 g/mol
Exact Mass284.13
IUPAC Nameethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
SMILESC=c1cnn(CCC(F)(F)C(F)(F)F)/c1=C/C.CC
InChIInChI=1S/C10H11F5N2.C2H6/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15;1-2/h3,6H,2,4-5H2,1H3;1-2H3/b8-3+;
InChIKeyLFFUGLPDQGTJRD-DCDCITSCSA-N
XLogP2.71
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.27
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4E,5Z)-1-cyclohex-3-en-1-yl-5-(fluoromethylidene)-4-[(Z)-2-methylbut-2-enylidene]pyrazole
CID 130341197
(4E,5E)-1-(2,2-dimethylpropyl)-5-(3-fluoropropylidene)-4-(2-methylprop-2-enylidene)pyrazole
CID 146550395
1-[(2Z,4Z)-2,6-difluorohepta-2,4,6-trien-3-yl]-5-methylidene-4-propan-2-ylidenepyrazole
CID 170106808
4,5-Dimethylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659818
(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659831
N,N-diethyl-2-(5-ethylidene-4-methylidenepyrazol-1-yl)ethanamine
CID 123158636
(4E,5E)-1-butan-2-yl-5-[(Z)-but-2-enylidene]-4-ethylidenepyrazole
CID 129157344
(4E,5E)-1-propan-2-yl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342636
(5E)-5-[(Z)-but-2-enylidene]-4-methylidene-1-propan-2-ylpyrazole
CID 142300294
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole;ethane
CID 144080201
ethane;(4E,5E)-5-ethylidene-1-methyl-4-prop-2-enylidenepyrazole
CID 144885720
(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
CID 145087227

Frequently Asked Questions

What is the IUPAC name of ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The IUPAC name of ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole (CID 176659830) is ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole.
What is the SMILES notation for ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The canonical SMILES for ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole is C=c1cnn(CCC(F)(F)C(F)(F)F)/c1=C/C.CC.
What is the InChIKey of ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The InChIKey is LFFUGLPDQGTJRD-DCDCITSCSA-N. The full InChI is InChI=1S/C10H11F5N2.C2H6/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15;1-2/h3,6H,2,4-5H2,1H3;1-2H3/b8-3+;.
What are the key properties of ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole has a molecular weight of 284.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole is sourced from PubChem (CID 176659830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).