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

C19H10Cl2FNO — CID 6071636

IUPAC(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F
InChIInChI=1S/C19H10Cl2FNO/c20-13-5-7-16(17(21)10-13)19-8-6-14(24-19)9-12(11-23)15-3-1-2-4-18(15)22/h1-10H/b12-9+
InChIKeyUQCJUXCZGOVEIK-FMIVXFBMSA-N
MW358.20 g/mol
LogP6.46
Rot. Bonds3

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

(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile (PubChem CID 6071636) has the molecular formula C19H10Cl2FNO and a molecular weight of 358.20 g/mol. Its IUPAC name is (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
PubChem CID6071636
Molecular FormulaC19H10Cl2FNO
Molecular Weight358.20 g/mol
Exact Mass357.01
IUPAC Name(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F
InChIInChI=1S/C19H10Cl2FNO/c20-13-5-7-16(17(21)10-13)19-8-6-14(24-19)9-12(11-23)15-3-1-2-4-18(15)22/h1-10H/b12-9+
InChIKeyUQCJUXCZGOVEIK-FMIVXFBMSA-N
XLogP6.46
TPSA36.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.20
LogP ≤ 56.46
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-(1H-benzimidazol-2-yl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile;hydrochloride
CID 90484481
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(3,4-dimethoxyphenyl)prop-2-enenitrile
CID 21206013
2-(2-fluorophenyl)-3-[5-(2-methyl-5-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 5024762
2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enethioamide
CID 2979672
2-(4-chlorophenyl)-3-[5-(2,5-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 5168069
(3E)-2-amino-4-[5-(2,4-dichlorophenyl)furan-2-yl]buta-1,3-diene-1,1,3-tricarbonitrile
CID 1154587
2-(2,4-dichlorophenyl)-3-[5-[3-(trifluoromethyl)phenyl]furan-2-yl]prop-2-enenitrile
CID 3444138
2-(1,3-benzothiazol-2-ylsulfanyl)-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enenitrile
CID 3262712
3-[5-(5-chloro-2-methylphenyl)furan-2-yl]-2-(4-fluorophenyl)prop-2-enenitrile
CID 2967435
(E)-N-(4-chlorophenyl)-2-cyano-3-[5-(2,4-dichlorophenyl)furan-2-yl]prop-2-enamide
CID 1179037
2-chloro-5-[5-[2-(2-chlorophenyl)-2-cyanoethenyl]furan-2-yl]benzoic acid
CID 3354345
2-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)furan-2-yl]prop-2-enenitrile
CID 4710166

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile (CID 6071636) is (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile is N#C/C(=C\c1ccc(-c2ccc(Cl)cc2Cl)o1)c1ccccc1F.
What is the InChIKey of (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile?
The InChIKey is UQCJUXCZGOVEIK-FMIVXFBMSA-N. The full InChI is InChI=1S/C19H10Cl2FNO/c20-13-5-7-16(17(21)10-13)19-8-6-14(24-19)9-12(11-23)15-3-1-2-4-18(15)22/h1-10H/b12-9+.
What are the key properties of (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile?
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile has a molecular weight of 358.20 g/mol, XLogP of 6.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 6071636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).