(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile

C9H6BrFN2 — CID 146260017

IUPAC(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile
SMILESC=C(Br)/C=C(C#N)\C(F)=C(/C)C#N
InChIInChI=1S/C9H6BrFN2/c1-6(4-12)9(11)8(5-13)3-7(2)10/h3H,2H2,1H3/b8-3-,9-6-
InChIKeyZNBBLHYPDPWWAQ-AIKKHQNGSA-N
MW241.06 g/mol
LogP3.11
Rot. Bonds2

About (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile

(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile (PubChem CID 146260017) has the molecular formula C9H6BrFN2 and a molecular weight of 241.06 g/mol. Its IUPAC name is (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile.

Molecular Properties

Compound Name(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile
PubChem CID146260017
Molecular FormulaC9H6BrFN2
Molecular Weight241.06 g/mol
Exact Mass239.97
IUPAC Name(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile
SMILESC=C(Br)/C=C(C#N)\C(F)=C(/C)C#N
InChIInChI=1S/C9H6BrFN2/c1-6(4-12)9(11)8(5-13)3-7(2)10/h3H,2H2,1H3/b8-3-,9-6-
InChIKeyZNBBLHYPDPWWAQ-AIKKHQNGSA-N
XLogP3.11
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.06
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethane;(2E,3E)-2-ethylidene-3-(2-methylprop-2-enylidene)butanedinitrile
CID 143322021
N-[(3E)-5-bromo-3-cyanohexa-1,3,5-trien-2-yl]-N'-ethenylmethanimidamide
CID 142874050
(E)-4-fluoro-2-methylidene-5-sulfanylidenehex-3-enenitrile
CID 123508505
(3E,5Z)-2-bromo-4-fluorohepta-1,3,5-triene
CID 142091470
(2Z,4Z,6Z)-3-fluoro-2,5-dimethylocta-2,4,6-trienenitrile
CID 146499155
(2E,4E)-5-bromo-3-fluoro-2-(methylideneamino)hexa-2,4-dienenitrile
CID 167284948
(3Z)-5-bromo-3-(1-fluoroethenyl)hexa-3,5-dien-2-one
CID 143571697
ethane;(E)-2-methyl-4-methylidenepent-2-enedinitrile
CID 176714944
(E)-2,3-dimethylbut-2-enedinitrile;ethane
CID 145022966
(2E)-5-methyl-2-prop-1-en-2-ylhexa-2,4-dienenitrile
CID 89181055
(3E,5E)-5-bromo-4-fluoro-2-methylhepta-1,3,5-triene
CID 88853657
2-bromo-4-methylhexa-1,3,5-triene
CID 91031136

Frequently Asked Questions

What is the IUPAC name of (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile?
The IUPAC name of (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile (CID 146260017) is (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile.
What is the SMILES notation for (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile?
The canonical SMILES for (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile is C=C(Br)/C=C(C#N)\C(F)=C(/C)C#N.
What is the InChIKey of (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile?
The InChIKey is ZNBBLHYPDPWWAQ-AIKKHQNGSA-N. The full InChI is InChI=1S/C9H6BrFN2/c1-6(4-12)9(11)8(5-13)3-7(2)10/h3H,2H2,1H3/b8-3-,9-6-.
What are the key properties of (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile?
(Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile has a molecular weight of 241.06 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,4Z)-4-(2-bromoprop-2-enylidene)-3-fluoro-2-methylpent-2-enedinitrile is sourced from PubChem (CID 146260017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).