(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile

C15H9F2NO2 — CID 9366758

IUPAC(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
SMILESCc1occc1C(=O)/C(C#N)=C/c1ccc(F)cc1F
InChIInChI=1S/C15H9F2NO2/c1-9-13(4-5-20-9)15(19)11(8-18)6-10-2-3-12(16)7-14(10)17/h2-7H,1H3/b11-6+
InChIKeyGXUYABBUGRQICO-IZZDOVSWSA-N
MW273.24 g/mol
LogP3.66
Rot. Bonds3

About (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile

(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile (PubChem CID 9366758) has the molecular formula C15H9F2NO2 and a molecular weight of 273.24 g/mol. Its IUPAC name is (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile.

Molecular Properties

Compound Name(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
PubChem CID9366758
Molecular FormulaC15H9F2NO2
Molecular Weight273.24 g/mol
Exact Mass273.06
IUPAC Name(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
SMILESCc1occc1C(=O)/C(C#N)=C/c1ccc(F)cc1F
InChIInChI=1S/C15H9F2NO2/c1-9-13(4-5-20-9)15(19)11(8-18)6-10-2-3-12(16)7-14(10)17/h2-7H,1H3/b11-6+
InChIKeyGXUYABBUGRQICO-IZZDOVSWSA-N
XLogP3.66
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.24
LogP ≤ 53.66
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'}

Analyze (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,4-difluorophenyl)-(2-methylfuran-3-yl)methanone
CID 43462661
(Z)-2-cyano-3-(4-fluoro-2-methylphenyl)prop-2-enoic acid
CID 62124702
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enamide
CID 122366406
(E)-2-cyano-3-(2,5-difluorophenyl)prop-2-enoic acid
CID 43312521
(E)-3-[5-(1,3-benzothiazol-2-yl)furan-2-yl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
CID 9366605
1-(2,5-difluorophenyl)-3-(2-methylfuran-3-yl)propane-1,3-dione
CID 43138932
(E)-2-(6-fluoro-1H-indole-3-carbonyl)-3-(6-fluoro-1H-indol-3-yl)prop-2-enenitrile
CID 118715226
N-[4-[(E)-2-cyano-3-(2-methylfuran-3-yl)-3-oxoprop-1-enyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 9366640
(Z)-2-cyano-3-(2,4-difluorophenyl)-N-(2-ethoxyphenyl)prop-2-enamide
CID 78786001
(E)-3-[1-[(3R)-1,1-dioxothiolan-3-yl]-3,5-dimethylpyrazol-4-yl]-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile
CID 9366741
2-(2-methylfuran-3-carbonyl)propanedinitrile
CID 112732057
(E)-3-(2,4-difluorophenyl)-2-methylprop-2-enoic acid
CID 22292345

Frequently Asked Questions

What is the IUPAC name of (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile?
The IUPAC name of (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile (CID 9366758) is (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile.
What is the SMILES notation for (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile?
The canonical SMILES for (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile is Cc1occc1C(=O)/C(C#N)=C/c1ccc(F)cc1F.
What is the InChIKey of (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile?
The InChIKey is GXUYABBUGRQICO-IZZDOVSWSA-N. The full InChI is InChI=1S/C15H9F2NO2/c1-9-13(4-5-20-9)15(19)11(8-18)6-10-2-3-12(16)7-14(10)17/h2-7H,1H3/b11-6+.
What are the key properties of (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile?
(E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile has a molecular weight of 273.24 g/mol, XLogP of 3.66, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-(2,4-difluorophenyl)-2-(2-methylfuran-3-carbonyl)prop-2-enenitrile is sourced from PubChem (CID 9366758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).