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

C10H11F5N2 — CID 176659831

IUPAC(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
InChIInChI=1S/C10H11F5N2/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15/h3,6H,2,4-5H2,1H3/b8-3+
InChIKeySFGYSUNBADRNKX-FPYGCLRLSA-N
MW254.20 g/mol
LogP1.68
Rot. Bonds3

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

(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole (PubChem CID 176659831) has the molecular formula C10H11F5N2 and a molecular weight of 254.20 g/mol. Its IUPAC name is (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole.

Molecular Properties

Compound Name(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
PubChem CID176659831
Molecular FormulaC10H11F5N2
Molecular Weight254.20 g/mol
Exact Mass254.08
IUPAC Name(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
InChIInChI=1S/C10H11F5N2/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15/h3,6H,2,4-5H2,1H3/b8-3+
InChIKeySFGYSUNBADRNKX-FPYGCLRLSA-N
XLogP1.68
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.20
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(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
ethane;(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole
CID 176659830
(4E,5E)-5-[(Z)-but-2-enylidene]-4-ethylidene-1-methylpyrazole
CID 132064861
(4E,5E)-1-methyl-4,5-bis(prop-2-enylidene)pyrazole
CID 134342605
(5E)-1-methyl-4-methylidene-5-prop-2-enylidenepyrazole
CID 142338035
1-ethyl-5-methyl-7H-cyclohepta[c]pyrazole
CID 142857713
(5E)-5-[(Z)-but-2-enylidene]-1-methyl-4-methylidenepyrazole
CID 144080202
(4E)-1-methyl-5-methylidene-4-(2-methylprop-2-enylidene)pyrazole
CID 145087227
(4E,5E)-4-[(Z)-but-2-enylidene]-1-methyl-5-prop-2-enylidenepyrazole
CID 145323618
(4E,5E)-4,5-di(ethylidene)-1-propan-2-ylpyrazole
CID 155050844

Frequently Asked Questions

What is the IUPAC name of (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The IUPAC name of (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole (CID 176659831) is (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole.
What is the SMILES notation for (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The canonical SMILES for (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.
What is the InChIKey of (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
The InChIKey is SFGYSUNBADRNKX-FPYGCLRLSA-N. The full InChI is InChI=1S/C10H11F5N2/c1-3-8-7(2)6-16-17(8)5-4-9(11,12)10(13,14)15/h3,6H,2,4-5H2,1H3/b8-3+.
What are the key properties of (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole?
(5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole has a molecular weight of 254.20 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-ethylidene-4-methylidene-1-(3,3,4,4,4-pentafluorobutyl)pyrazole is sourced from PubChem (CID 176659831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).