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

C19H11FN2O3 — CID 126397647

IUPAC(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11FN2O3/c20-16-3-1-2-14(10-16)15(12-21)11-18-8-9-19(25-18)13-4-6-17(7-5-13)22(23)24/h1-11H/b15-11+
InChIKeyOZFPFCVMFLFNGQ-RVDMUPIBSA-N
MW334.31 g/mol
LogP5.06
Rot. Bonds4

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

(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile (PubChem CID 126397647) has the molecular formula C19H11FN2O3 and a molecular weight of 334.31 g/mol. Its IUPAC name is (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
PubChem CID126397647
Molecular FormulaC19H11FN2O3
Molecular Weight334.31 g/mol
Exact Mass334.08
IUPAC Name(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11FN2O3/c20-16-3-1-2-14(10-16)15(12-21)11-18-8-9-19(25-18)13-4-6-17(7-5-13)22(23)24/h1-11H/b15-11+
InChIKeyOZFPFCVMFLFNGQ-RVDMUPIBSA-N
XLogP5.06
TPSA80.07 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.31
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', '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
(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227172
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
2-(4-nitrophenyl)-3-(5-phenylfuran-2-yl)prop-2-enenitrile
CID 3704591
3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 2964036
4-[(Z)-1-cyano-2-[5-(4-nitrophenyl)furan-2-yl]ethenyl]benzonitrile
CID 967469
(E)-3-[5-(3-bromo-4-methylphenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 2212032
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166
3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 2971977
2-[[5-(3-nitrophenyl)furan-2-yl]methylidene]propanedinitrile
CID 812283
2-(1,3-benzothiazol-2-yl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 3566999
(E)-3-[5-(2-methyl-4-nitrophenyl)furan-2-yl]-2-(4-nitrophenyl)prop-2-enenitrile
CID 7263320

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The IUPAC name of (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile (CID 126397647) is (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The canonical SMILES for (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1cccc(F)c1.
What is the InChIKey of (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
The InChIKey is OZFPFCVMFLFNGQ-RVDMUPIBSA-N. The full InChI is InChI=1S/C19H11FN2O3/c20-16-3-1-2-14(10-16)15(12-21)11-18-8-9-19(25-18)13-4-6-17(7-5-13)22(23)24/h1-11H/b15-11+.
What are the key properties of (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile?
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile has a molecular weight of 334.31 g/mol, XLogP of 5.06, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 126397647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).