(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile

C15H7Cl3FN — CID 166064932

IUPAC(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(Cl)c1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C15H7Cl3FN/c16-11-4-5-14(19)12(7-11)10(8-20)6-9-2-1-3-13(17)15(9)18/h1-7H/b10-6+
InChIKeySUSUOYMFSMPXTJ-UXBLZVDNSA-N
MW326.59 g/mol
LogP5.85
Rot. Bonds2

About (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile

(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile (PubChem CID 166064932) has the molecular formula C15H7Cl3FN and a molecular weight of 326.59 g/mol. Its IUPAC name is (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile
PubChem CID166064932
Molecular FormulaC15H7Cl3FN
Molecular Weight326.59 g/mol
Exact Mass324.96
IUPAC Name(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile
SMILESN#C/C(=C\c1cccc(Cl)c1Cl)c1cc(Cl)ccc1F
InChIInChI=1S/C15H7Cl3FN/c16-11-4-5-14(19)12(7-11)10(8-20)6-9-2-1-3-13(17)15(9)18/h1-7H/b10-6+
InChIKeySUSUOYMFSMPXTJ-UXBLZVDNSA-N
XLogP5.85
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500326.59
LogP ≤ 55.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-2-fluorophenyl)-2-(2,4-dichlorophenyl)prop-2-enenitrile
CID 67296942
(Z)-3-(2,3-dichlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 7121360
(E)-3-(2,3-dichlorophenyl)-2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]prop-2-enenitrile
CID 6021171
3-[2-(4-chlorophenyl)sulfanylphenyl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 3997801
(Z)-2-(4-chloro-2-fluorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 167188628
(Z)-3-[5-(2,4-dichlorophenyl)furan-2-yl]-2-(2-fluorophenyl)prop-2-enenitrile
CID 6071636
2-(2-chlorophenyl)-3-(4-chlorophenyl)prop-2-enenitrile
CID 696764
(Z)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enethioamide
CID 729911
(Z)-3-(2,3-dichlorophenyl)-2-(5,6-dimethyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 110536384
(Z)-3-(2,3-dichlorophenyl)-2-(6-methyl-1H-benzimidazol-2-yl)prop-2-enenitrile
CID 110537219
(Z)-3-(2,3-dichlorophenyl)-2-(1-methylbenzimidazol-2-yl)prop-2-enenitrile
CID 110537218
(E)-3-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-2-(3-fluorophenyl)prop-2-enenitrile
CID 126396717

Frequently Asked Questions

What is the IUPAC name of (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile (CID 166064932) is (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile is N#C/C(=C\c1cccc(Cl)c1Cl)c1cc(Cl)ccc1F.
What is the InChIKey of (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile?
The InChIKey is SUSUOYMFSMPXTJ-UXBLZVDNSA-N. The full InChI is InChI=1S/C15H7Cl3FN/c16-11-4-5-14(19)12(7-11)10(8-20)6-9-2-1-3-13(17)15(9)18/h1-7H/b10-6+.
What are the key properties of (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile?
(Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile has a molecular weight of 326.59 g/mol, XLogP of 5.85, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-(5-chloro-2-fluorophenyl)-3-(2,3-dichlorophenyl)prop-2-enenitrile is sourced from PubChem (CID 166064932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).