(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile

C9H4Cl2FN — CID 82879399

IUPAC(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H4Cl2FN/c10-7(3-4-13)6-1-2-9(12)8(11)5-6/h1-3,5H/b7-3-
InChIKeyDJSXKHVSCNFTJZ-CLTKARDFSA-N
MW216.04 g/mol
LogP3.58
Rot. Bonds1

About (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile

(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile (PubChem CID 82879399) has the molecular formula C9H4Cl2FN and a molecular weight of 216.04 g/mol. Its IUPAC name is (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
PubChem CID82879399
Molecular FormulaC9H4Cl2FN
Molecular Weight216.04 g/mol
Exact Mass214.97
IUPAC Name(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile
SMILESN#C/C=C(\Cl)c1ccc(F)c(Cl)c1
InChIInChI=1S/C9H4Cl2FN/c10-7(3-4-13)6-1-2-9(12)8(11)5-6/h1-3,5H/b7-3-
InChIKeyDJSXKHVSCNFTJZ-CLTKARDFSA-N
XLogP3.58
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.04
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-chloro-3-(2,5-difluorophenyl)prop-2-enenitrile
CID 43155445
(2Z)-2-[chloro-(3-chloro-4-fluorophenyl)methylidene]pentanenitrile
CID 82879775
bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(Z)-3-chloro-3-(2,6-difluorophenyl)prop-2-enenitrile
CID 43155462
3-chloro-N-(2-cyano-2-methylpropyl)-4-fluorobenzamide
CID 113372707
3-chloro-N-(2-cyano-4-fluorophenyl)-4-fluorobenzamide
CID 81484638
3-(3-chloro-4-fluorophenyl)-3-oxopropanoic acid
CID 69156717
(Z)-3-(3,4-dichlorophenyl)-3-(methylamino)prop-2-enenitrile
CID 67809240
(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile
CID 107989252
3-(3-chloro-4-fluorophenyl)-3-oxo-2-phenylpropanenitrile
CID 82875579
N-(5-bromo-2-cyanophenyl)-3-chloro-4-fluorobenzamide
CID 104880414
(Z)-3-chloro-3-(2-fluoro-4-methoxyphenyl)prop-2-enenitrile
CID 102883607

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile (CID 82879399) is (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile is N#C/C=C(\Cl)c1ccc(F)c(Cl)c1.
What is the InChIKey of (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile?
The InChIKey is DJSXKHVSCNFTJZ-CLTKARDFSA-N. The full InChI is InChI=1S/C9H4Cl2FN/c10-7(3-4-13)6-1-2-9(12)8(11)5-6/h1-3,5H/b7-3-.
What are the key properties of (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile?
(Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile has a molecular weight of 216.04 g/mol, XLogP of 3.58, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-chloro-3-(3-chloro-4-fluorophenyl)prop-2-enenitrile is sourced from PubChem (CID 82879399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).