(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile

C9H3FN4 — CID 15866330

IUPAC(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile
SMILESN#CC(C#N)=C/C(F)=C/C(C#N)C#N
InChIInChI=1S/C9H3FN4/c10-9(1-7(3-11)4-12)2-8(5-13)6-14/h1-2,7H/b9-1-
InChIKeyVLHBRQLVFKWELZ-OQYWKCLKSA-N
MW186.15 g/mol
LogP1.48
Rot. Bonds2

About (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile

(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile (PubChem CID 15866330) has the molecular formula C9H3FN4 and a molecular weight of 186.15 g/mol. Its IUPAC name is (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile.

Molecular Properties

Compound Name(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile
PubChem CID15866330
Molecular FormulaC9H3FN4
Molecular Weight186.15 g/mol
Exact Mass186.03
IUPAC Name(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile
SMILESN#CC(C#N)=C/C(F)=C/C(C#N)C#N
InChIInChI=1S/C9H3FN4/c10-9(1-7(3-11)4-12)2-8(5-13)6-14/h1-2,7H/b9-1-
InChIKeyVLHBRQLVFKWELZ-OQYWKCLKSA-N
XLogP1.48
TPSA95.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.15
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(3E,5E)-hepta-1,3,5-triene-1,1,7,7-tetracarbonitrile
CID 14273405
2-(sulfanylmethylidene)propanedinitrile
CID 19801161
(Z)-2,4,4-trifluorobut-2-enenitrile
CID 174282316
dipotassium;hydride;2-(sulfanylmethylidene)propanedinitrile
CID 173458500
3-chloropenta-1,3-diene-1,1,5,5-tetracarbonitrile;dimethylazanium
CID 163335714
2-(hydroxymethylidene)propanedinitrile
CID 11105312
2-(2,3,3-trimethylbutylidene)propanedinitrile
CID 15247712
2-(3-hydroxybut-2-enylidene)propanedinitrile
CID 71439504
2-[2-(1-bromoethenylsulfanyl)prop-2-enylidene]propanedinitrile
CID 144686573
2-but-1-enylpropanedinitrile
CID 71377600
(2Z,4Z,6Z)-3-fluoro-2,5-dimethylocta-2,4,6-trienenitrile
CID 146499155
3,4-bis(4-bromophenyl)hexa-1,3,5-triene-1,1,6,6-tetracarbonitrile
CID 71381944

Frequently Asked Questions

What is the IUPAC name of (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile?
The IUPAC name of (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile (CID 15866330) is (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile.
What is the SMILES notation for (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile?
The canonical SMILES for (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile is N#CC(C#N)=C/C(F)=C/C(C#N)C#N.
What is the InChIKey of (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile?
The InChIKey is VLHBRQLVFKWELZ-OQYWKCLKSA-N. The full InChI is InChI=1S/C9H3FN4/c10-9(1-7(3-11)4-12)2-8(5-13)6-14/h1-2,7H/b9-1-.
What are the key properties of (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile?
(3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile has a molecular weight of 186.15 g/mol, XLogP of 1.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z)-3-fluoropenta-1,3-diene-1,1,5,5-tetracarbonitrile is sourced from PubChem (CID 15866330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).