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

C19H11F2NO — CID 126398203

IUPAC(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11F2NO/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-
InChIKeyRXDDJAIHUUXJER-PTNGSMBKSA-N
MW307.30 g/mol
LogP5.29
Rot. Bonds3

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

(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile (PubChem CID 126398203) has the molecular formula C19H11F2NO and a molecular weight of 307.30 g/mol. Its IUPAC name is (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
PubChem CID126398203
Molecular FormulaC19H11F2NO
Molecular Weight307.30 g/mol
Exact Mass307.08
IUPAC Name(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile
SMILESN#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(F)c1
InChIInChI=1S/C19H11F2NO/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-
InChIKeyRXDDJAIHUUXJER-PTNGSMBKSA-N
XLogP5.29
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.30
LogP ≤ 55.29
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

(Z)-3-[5-(4-bromophenyl)furan-2-yl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 2227172
(Z)-2-(3-fluorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 126397647
(E)-3-[5-(4-fluorophenyl)furan-2-yl]-2-(4-methylphenyl)prop-2-enenitrile
CID 21374853
3-(5-bromofuran-2-yl)-2-(3-fluorophenyl)prop-2-enenitrile
CID 2971977
(E)-3-[5-(3-fluorophenyl)furan-2-yl]-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 18864033
(E)-2-cyano-N-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enamide
CID 18863479
2-(4-chlorophenyl)-3-[5-(4-chlorophenyl)furan-2-yl]prop-2-enenitrile
CID 2867146
3-[5-(4-chlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 3392732
3-[5-(3,4-dichlorophenyl)furan-2-yl]-2-(3-nitrophenyl)prop-2-enenitrile
CID 2964036
(E)-2-(3-fluorophenyl)but-2-enenitrile
CID 131998621
(E)-3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)prop-2-enenitrile
CID 2224950
3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
CID 2967435

Frequently Asked Questions

What is the IUPAC name of (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile?
The IUPAC name of (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile (CID 126398203) is (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile.
What is the SMILES notation for (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile?
The canonical SMILES for (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile is N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)c1cccc(F)c1.
What is the InChIKey of (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile?
The InChIKey is RXDDJAIHUUXJER-PTNGSMBKSA-N. The full InChI is InChI=1S/C19H11F2NO/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 (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile?
(E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile has a molecular weight of 307.30 g/mol, XLogP of 5.29, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(3-fluorophenyl)-3-[5-(4-fluorophenyl)furan-2-yl]prop-2-enenitrile is sourced from PubChem (CID 126398203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).