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

C10H6Cl2FN — CID 107989252

IUPAC(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C(/Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H6Cl2FN/c1-6(5-14)10(12)7-2-3-8(11)9(13)4-7/h2-4H,1H3/b10-6-
InChIKeyICHGVJOXRBGVQG-POHAHGRESA-N
MW230.07 g/mol
LogP3.97
Rot. Bonds1

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

(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile (PubChem CID 107989252) has the molecular formula C10H6Cl2FN and a molecular weight of 230.07 g/mol. Its IUPAC name is (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile.

Molecular Properties

Compound Name(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile
PubChem CID107989252
Molecular FormulaC10H6Cl2FN
Molecular Weight230.07 g/mol
Exact Mass228.99
IUPAC Name(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile
SMILESC/C(C#N)=C(/Cl)c1ccc(Cl)c(F)c1
InChIInChI=1S/C10H6Cl2FN/c1-6(5-14)10(12)7-2-3-8(11)9(13)4-7/h2-4H,1H3/b10-6-
InChIKeyICHGVJOXRBGVQG-POHAHGRESA-N
XLogP3.97
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.07
LogP ≤ 53.97
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

3-chloro-3-(3,4-difluorophenyl)-2-methylprop-2-enenitrile
CID 76922482
(E)-3-chloro-3-(4-fluoro-3-methoxyphenyl)-2-methylprop-2-enenitrile
CID 81284713
3-chloro-3-(3,4-dimethylphenyl)-2-methylprop-2-enenitrile
CID 76922430
3-chloro-3-(3-chlorophenyl)-2-methylprop-2-enenitrile
CID 76922289
(Z)-3-(6-bromonaphthalen-2-yl)-3-chloro-2-methylprop-2-enenitrile
CID 115354144
3-chloro-3-(2,4-difluorophenyl)-2-methylprop-2-enenitrile
CID 76922437
1,2-bis(4-chloro-3-fluorophenyl)ethane-1,2-dione
CID 22574248
(2Z)-2-[chloro-(3-chloro-4-fluorophenyl)methylidene]pentanenitrile
CID 82879775
(Z)-3-chloro-3-(3,5-dibromophenyl)-2-methylprop-2-enenitrile
CID 107980671
4-chloro-3-fluorobenzoic acid
CID 2736536
3-(4-bromo-2-chlorophenyl)-3-chloro-2-methylprop-2-enenitrile
CID 76922574
4-chloro-N-(2-cyanopropyl)-3-fluorobenzamide
CID 103876454

Frequently Asked Questions

What is the IUPAC name of (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile?
The IUPAC name of (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile (CID 107989252) is (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile.
What is the SMILES notation for (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile?
The canonical SMILES for (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile is C/C(C#N)=C(/Cl)c1ccc(Cl)c(F)c1.
What is the InChIKey of (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile?
The InChIKey is ICHGVJOXRBGVQG-POHAHGRESA-N. The full InChI is InChI=1S/C10H6Cl2FN/c1-6(5-14)10(12)7-2-3-8(11)9(13)4-7/h2-4H,1H3/b10-6-.
What are the key properties of (Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile?
(Z)-3-chloro-3-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile has a molecular weight of 230.07 g/mol, XLogP of 3.97, 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-(4-chloro-3-fluorophenyl)-2-methylprop-2-enenitrile is sourced from PubChem (CID 107989252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).