(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile

C22H4F10N2O — CID 122230710

IUPAC(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(/C=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)o1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H4F10N2O/c23-13-11(14(24)18(28)21(31)17(13)27)7(5-33)3-9-1-2-10(35-9)4-8(6-34)12-15(25)19(29)22(32)20(30)16(12)26/h1-4H/b7-3+,8-4+
InChIKeyNNFHMZLBFWXNIQ-FCXRPNKRSA-N
MW502.27 g/mol
LogP6.80
Rot. Bonds4

About (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile

(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile (PubChem CID 122230710) has the molecular formula C22H4F10N2O and a molecular weight of 502.27 g/mol. Its IUPAC name is (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
PubChem CID122230710
Molecular FormulaC22H4F10N2O
Molecular Weight502.27 g/mol
Exact Mass502.02
IUPAC Name(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(/C=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)o1)c1c(F)c(F)c(F)c(F)c1F
InChIInChI=1S/C22H4F10N2O/c23-13-11(14(24)18(28)21(31)17(13)27)7(5-33)3-9-1-2-10(35-9)4-8(6-34)12-15(25)19(29)22(32)20(30)16(12)26/h1-4H/b7-3+,8-4+
InChIKeyNNFHMZLBFWXNIQ-FCXRPNKRSA-N
XLogP6.80
TPSA60.72 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500502.27
LogP ≤ 56.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile (CID 122230710) is (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(/C=C(\C#N)c2c(F)c(F)c(F)c(F)c2F)o1)c1c(F)c(F)c(F)c(F)c1F.
What is the InChIKey of (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile?
The InChIKey is NNFHMZLBFWXNIQ-FCXRPNKRSA-N. The full InChI is InChI=1S/C22H4F10N2O/c23-13-11(14(24)18(28)21(31)17(13)27)7(5-33)3-9-1-2-10(35-9)4-8(6-34)12-15(25)19(29)22(32)20(30)16(12)26/h1-4H/b7-3+,8-4+.
What are the key properties of (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile?
(Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile has a molecular weight of 502.27 g/mol, XLogP of 6.80, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-[(Z)-2-cyano-2-(2,3,4,5,6-pentafluorophenyl)ethenyl]furan-2-yl]-2-(2,3,4,5,6-pentafluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 122230710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).