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

C19H12FNO — CID 779585

IUPAC(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H12FNO/c20-17-8-6-15(7-9-17)19-11-10-18(22-19)12-16(13-21)14-4-2-1-3-5-14/h1-12H/b16-12+
InChIKeyDSVOLLQJZJADNS-FOWTUZBSSA-N
MW289.31 g/mol
LogP5.15
Rot. Bonds3

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

(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (PubChem CID 779585) has the molecular formula C19H12FNO and a molecular weight of 289.31 g/mol. Its IUPAC name is (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
PubChem CID779585
Molecular FormulaC19H12FNO
Molecular Weight289.31 g/mol
Exact Mass289.09
IUPAC Name(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1
InChIInChI=1S/C19H12FNO/c20-17-8-6-15(7-9-17)19-11-10-18(22-19)12-16(13-21)14-4-2-1-3-5-14/h1-12H/b16-12+
InChIKeyDSVOLLQJZJADNS-FOWTUZBSSA-N
XLogP5.15
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500289.31
LogP ≤ 55.15
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-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile (CID 779585) is (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(F)cc2)o1)c1ccccc1.
What is the InChIKey of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
The InChIKey is DSVOLLQJZJADNS-FOWTUZBSSA-N. The full InChI is InChI=1S/C19H12FNO/c20-17-8-6-15(7-9-17)19-11-10-18(22-19)12-16(13-21)14-4-2-1-3-5-14/h1-12H/b16-12+.
What are the key properties of (Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile?
(Z)-3-[5-(4-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile has a molecular weight of 289.31 g/mol, XLogP of 5.15, 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-fluorophenyl)furan-2-yl]-2-phenylprop-2-enenitrile is sourced from PubChem (CID 779585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).