5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile

C11H2F10N2 — CID 22600923

IUPAC5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)C(C(F)(F)C(F)(F)C(F)(F)F)C=C1C(F)(F)F
InChIInChI=1S/C11H2F10N2/c12-8(13,10(17,18)11(19,20)21)6-1-7(9(14,15)16)5(3-23)4(6)2-22/h1,6H
InChIKeyMIBHAZARHDDSQK-UHFFFAOYSA-N
MW352.13 g/mol
LogP4.28
Rot. Bonds2

About 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile

5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile (PubChem CID 22600923) has the molecular formula C11H2F10N2 and a molecular weight of 352.13 g/mol. Its IUPAC name is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile.

Molecular Properties

Compound Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile
PubChem CID22600923
Molecular FormulaC11H2F10N2
Molecular Weight352.13 g/mol
Exact Mass352.01
IUPAC Name5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile
SMILESN#CC1=C(C#N)C(C(F)(F)C(F)(F)C(F)(F)F)C=C1C(F)(F)F
InChIInChI=1S/C11H2F10N2/c12-8(13,10(17,18)11(19,20)21)6-1-7(9(14,15)16)5(3-23)4(6)2-22/h1,6H
InChIKeyMIBHAZARHDDSQK-UHFFFAOYSA-N
XLogP4.28
TPSA47.58 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.13
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile?
The IUPAC name of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile (CID 22600923) is 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile.
What is the SMILES notation for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile?
The canonical SMILES for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile is N#CC1=C(C#N)C(C(F)(F)C(F)(F)C(F)(F)F)C=C1C(F)(F)F.
What is the InChIKey of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile?
The InChIKey is MIBHAZARHDDSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H2F10N2/c12-8(13,10(17,18)11(19,20)21)6-1-7(9(14,15)16)5(3-23)4(6)2-22/h1,6H.
What are the key properties of 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile?
5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile has a molecular weight of 352.13 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,1,2,2,3,3,3-heptafluoropropyl)-3-(trifluoromethyl)cyclopenta-1,3-diene-1,2-dicarbonitrile is sourced from PubChem (CID 22600923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).