(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile

C19H11BrFNO — CID 2227172

IUPAC(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11BrFNO/c20-16-6-4-13(5-7-16)19-9-8-18(23-19)11-15(12-22)14-2-1-3-17(21)10-14/h1-11H/b15-11+
InChIKeyRZQJBEKGWXIKOZ-RVDMUPIBSA-N
MW368.21 g/mol
LogP5.91
Rot. Bonds3

About (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile

(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile (PubChem CID 2227172) has the molecular formula C19H11BrFNO and a molecular weight of 368.21 g/mol. Its IUPAC name is (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
PubChem CID2227172
Molecular FormulaC19H11BrFNO
Molecular Weight368.21 g/mol
Exact Mass367.00
IUPAC Name(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11BrFNO/c20-16-6-4-13(5-7-16)19-9-8-18(23-19)11-15(12-22)14-2-1-3-17(21)10-14/h1-11H/b15-11+
InChIKeyRZQJBEKGWXIKOZ-RVDMUPIBSA-N
XLogP5.91
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.21
LogP ≤ 55.91
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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Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile (CID 2227172) is (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(Br)cc2)o1)c1cccc(F)c1.
What is the InChIKey of (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
The InChIKey is RZQJBEKGWXIKOZ-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H11BrFNO/c20-16-6-4-13(5-7-16)19-9-8-18(23-19)11-15(12-22)14-2-1-3-17(21)10-14/h1-11H/b15-11+.
What are the key properties of (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile?
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile has a molecular weight of 368.21 g/mol, XLogP of 5.91, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 2227172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).