(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile

C20H14FNO — CID 21374853

IUPAC(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H14FNO/c1-14-2-4-15(5-3-14)17(13-22)12-19-10-11-20(23-19)16-6-8-18(21)9-7-16/h2-12H,1H3/b17-12-
InChIKeySXVLLUXFHGEDCX-ATVHPVEESA-N
MW303.34 g/mol
LogP5.46
Rot. Bonds3

About (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile

(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile (PubChem CID 21374853) has the molecular formula C20H14FNO and a molecular weight of 303.34 g/mol. Its IUPAC name is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
PubChem CID21374853
Molecular FormulaC20H14FNO
Molecular Weight303.34 g/mol
Exact Mass303.11
IUPAC Name(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
SMILESCc1ccc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1
InChIInChI=1S/C20H14FNO/c1-14-2-4-15(5-3-14)17(13-22)12-19-10-11-20(23-19)16-6-8-18(21)9-7-16/h2-12H,1H3/b17-12-
InChIKeySXVLLUXFHGEDCX-ATVHPVEESA-N
XLogP5.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.34
LogP ≤ 55.46
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

(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
CID 126398203
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
CID 2967435
(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2224950
3-[5-(4-acetylphenyl)furan-2-yl]-2-(4-chlorophenyl)prop-2-enenitrile
CID 2951942
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227172
ethyl 4-[5-[(E)-2-cyano-2-phenylethenyl]furan-2-yl]benzoate
CID 126365236
(Z)-3-[5-[5-[(Z)-2-isocyano-2-[4-(trifluoromethyl)phenyl]ethenyl]furan-2-yl]furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 58029033
ethyl 4-[5-[(E)-2-cyano-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]ethenyl]furan-2-yl]benzoate
CID 6020079
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
(E)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374787
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647

Frequently Asked Questions

What is the IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The IUPAC name of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile (CID 21374853) is (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile is Cc1ccc(/C(C#N)=C\c2ccc(-c3ccc(F)cc3)o2)cc1.
What is the InChIKey of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile?
The InChIKey is SXVLLUXFHGEDCX-ATVHPVEESA-N. The full InChI is InChI=1S/C20H14FNO/c1-14-2-4-15(5-3-14)17(13-22)12-19-10-11-20(23-19)16-6-8-18(21)9-7-16/h2-12H,1H3/b17-12-.
What are the key properties of (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile?
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile has a molecular weight of 303.34 g/mol, XLogP of 5.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile is sourced from PubChem (CID 21374853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).