(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile

C13H7BrFNO — CID 2224950

IUPAC(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C13H7BrFNO/c14-13-6-5-12(17-13)7-10(8-16)9-1-3-11(15)4-2-9/h1-7H/b10-7-
InChIKeyWXJJANUKOYFMDO-YFHOEESVSA-N
MW292.11 g/mol
LogP4.25
Rot. Bonds2

About (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile

(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile (PubChem CID 2224950) has the molecular formula C13H7BrFNO and a molecular weight of 292.11 g/mol. Its IUPAC name is (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
PubChem CID2224950
Molecular FormulaC13H7BrFNO
Molecular Weight292.11 g/mol
Exact Mass290.97
IUPAC Name(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(Br)o1)c1ccc(F)cc1
InChIInChI=1S/C13H7BrFNO/c14-13-6-5-12(17-13)7-10(8-16)9-1-3-11(15)4-2-9/h1-7H/b10-7-
InChIKeyWXJJANUKOYFMDO-YFHOEESVSA-N
XLogP4.25
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.11
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 2971977
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374853
3-(5-bromofuran-2-yl)-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 67228375
3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
CID 2967435
(Z)-2-(4-fluorophenyl)but-2-enenitrile
CID 11041007
(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
CID 126398203
(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
4-[1-cyano-2-(5-methylfuran-2-yl)ethenyl]benzonitrile
CID 2968800
4-[(E)-1-cyano-2-(5-iodofuran-2-yl)ethenyl]benzonitrile
CID 2231926
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227172
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
(E)-2-benzoyl-3-(5-bromofuran-2-yl)prop-2-enenitrile
CID 13327668

Frequently Asked Questions

What is the IUPAC name of (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile (CID 2224950) is (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile is N#C/C(=C/c1ccc(Br)o1)c1ccc(F)cc1.
What is the InChIKey of (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
The InChIKey is WXJJANUKOYFMDO-YFHOEESVSA-N. The full InChI is InChI=1S/C13H7BrFNO/c14-13-6-5-12(17-13)7-10(8-16)9-1-3-11(15)4-2-9/h1-7H/b10-7-.
What are the key properties of (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile?
(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile has a molecular weight of 292.11 g/mol, XLogP of 4.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 2224950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).