(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile

C14H8FNO2 — CID 9337840

IUPAC(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8FNO2/c15-12-5-3-10(4-6-12)14(17)11(9-16)8-13-2-1-7-18-13/h1-8H/b11-8+
InChIKeyTVEKVZSKXRJWRR-DHZHZOJOSA-N
MW241.22 g/mol
LogP3.21
Rot. Bonds3

About (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile

(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile (PubChem CID 9337840) has the molecular formula C14H8FNO2 and a molecular weight of 241.22 g/mol. Its IUPAC name is (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
PubChem CID9337840
Molecular FormulaC14H8FNO2
Molecular Weight241.22 g/mol
Exact Mass241.05
IUPAC Name(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccco1)C(=O)c1ccc(F)cc1
InChIInChI=1S/C14H8FNO2/c15-12-5-3-10(4-6-12)14(17)11(9-16)8-13-2-1-7-18-13/h1-8H/b11-8+
InChIKeyTVEKVZSKXRJWRR-DHZHZOJOSA-N
XLogP3.21
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'conjugated_nitrile_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5467940
(E)-2-(4-fluorobenzoyl)-3-(4-methylphenyl)prop-2-enenitrile
CID 9337914
2-cyano-N-(2-fluorophenyl)-3-(furan-2-yl)prop-2-enamide
CID 842183
[2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] (E)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 7914466
(E)-3-(3,4-difluorophenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile
CID 9338136
(E)-2-(4-fluorobenzoyl)-3-naphthalen-1-ylprop-2-enenitrile
CID 9337835
(E)-3-(3-bromophenyl)-2-(4-fluorobenzoyl)prop-2-enenitrile
CID 9337863
ethyl (Z)-2-cyano-3-(furan-2-yl)prop-2-enoate
CID 5337852
(Z)-1-(4-fluorophenyl)-3-(furan-2-yl)prop-2-en-1-one
CID 11550283
(E)-2-cyano-N-cycloheptyl-3-(furan-2-yl)prop-2-enamide
CID 840729
2-cyano-3-(furan-2-yl)-N-[4-(trifluoromethyl)phenyl]prop-2-enamide
CID 2888047
(E)-3-(furan-2-yl)-2-(morpholine-4-carbonyl)prop-2-enenitrile
CID 6293394

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile?
The IUPAC name of (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile (CID 9337840) is (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile.
What is the SMILES notation for (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile?
The canonical SMILES for (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile is N#C/C(=C\c1ccco1)C(=O)c1ccc(F)cc1.
What is the InChIKey of (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile?
The InChIKey is TVEKVZSKXRJWRR-DHZHZOJOSA-N. The full InChI is InChI=1S/C14H8FNO2/c15-12-5-3-10(4-6-12)14(17)11(9-16)8-13-2-1-7-18-13/h1-8H/b11-8+.
What are the key properties of (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile?
(E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile has a molecular weight of 241.22 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-fluorobenzoyl)-3-(furan-2-yl)prop-2-enenitrile is sourced from PubChem (CID 9337840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).