2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile

C17H9F3N2O2 — CID 141135822

IUPAC2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C(C(=O)c2ccco2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)11-5-3-10(4-6-11)13-14(16(13,8-21)9-22)15(23)12-2-1-7-24-12/h1-7,13-14H
InChIKeyZQJMKVJQLODYTO-UHFFFAOYSA-N
MW330.27 g/mol
LogP3.93
Rot. Bonds3

About 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile

2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile (PubChem CID 141135822) has the molecular formula C17H9F3N2O2 and a molecular weight of 330.27 g/mol. Its IUPAC name is 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile.

Molecular Properties

Compound Name2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile
PubChem CID141135822
Molecular FormulaC17H9F3N2O2
Molecular Weight330.27 g/mol
Exact Mass330.06
IUPAC Name2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile
SMILESN#CC1(C#N)C(C(=O)c2ccco2)C1c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C17H9F3N2O2/c18-17(19,20)11-5-3-10(4-6-11)13-14(16(13,8-21)9-22)15(23)12-2-1-7-24-12/h1-7,13-14H
InChIKeyZQJMKVJQLODYTO-UHFFFAOYSA-N
XLogP3.93
TPSA77.79 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.27
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyano_cyano_B(3)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile?
The IUPAC name of 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile (CID 141135822) is 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile.
What is the SMILES notation for 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile?
The canonical SMILES for 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile is N#CC1(C#N)C(C(=O)c2ccco2)C1c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile?
The InChIKey is ZQJMKVJQLODYTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9F3N2O2/c18-17(19,20)11-5-3-10(4-6-11)13-14(16(13,8-21)9-22)15(23)12-2-1-7-24-12/h1-7,13-14H.
What are the key properties of 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile?
2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile has a molecular weight of 330.27 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-carbonyl)-3-[4-(trifluoromethyl)phenyl]cyclopropane-1,1-dicarbonitrile is sourced from PubChem (CID 141135822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).