chloro 2-chloro-2,2-diphenylacetate;ethene

C16H14Cl2O2 — CID 174415265

IUPACchloro 2-chloro-2,2-diphenylacetate;ethene
SMILESC=C.O=C(OCl)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10Cl2O2.C2H4/c15-14(13(17)18-16,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;1-2H2
InChIKeyQKWCEOGUVBESFY-UHFFFAOYSA-N
MW309.19 g/mol
LogP4.67
Rot. Bonds3

About chloro 2-chloro-2,2-diphenylacetate;ethene

chloro 2-chloro-2,2-diphenylacetate;ethene (PubChem CID 174415265) has the molecular formula C16H14Cl2O2 and a molecular weight of 309.19 g/mol. Its IUPAC name is chloro 2-chloro-2,2-diphenylacetate;ethene.

Molecular Properties

Compound Namechloro 2-chloro-2,2-diphenylacetate;ethene
PubChem CID174415265
Molecular FormulaC16H14Cl2O2
Molecular Weight309.19 g/mol
Exact Mass308.04
IUPAC Namechloro 2-chloro-2,2-diphenylacetate;ethene
SMILESC=C.O=C(OCl)C(Cl)(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H10Cl2O2.C2H4/c15-14(13(17)18-16,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;1-2H2
InChIKeyQKWCEOGUVBESFY-UHFFFAOYSA-N
XLogP4.67
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.19
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of chloro 2-chloro-2,2-diphenylacetate;ethene?
The IUPAC name of chloro 2-chloro-2,2-diphenylacetate;ethene (CID 174415265) is chloro 2-chloro-2,2-diphenylacetate;ethene.
What is the SMILES notation for chloro 2-chloro-2,2-diphenylacetate;ethene?
The canonical SMILES for chloro 2-chloro-2,2-diphenylacetate;ethene is C=C.O=C(OCl)C(Cl)(c1ccccc1)c1ccccc1.
What is the InChIKey of chloro 2-chloro-2,2-diphenylacetate;ethene?
The InChIKey is QKWCEOGUVBESFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O2.C2H4/c15-14(13(17)18-16,11-7-3-1-4-8-11)12-9-5-2-6-10-12;1-2/h1-10H;1-2H2.
What are the key properties of chloro 2-chloro-2,2-diphenylacetate;ethene?
chloro 2-chloro-2,2-diphenylacetate;ethene has a molecular weight of 309.19 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro 2-chloro-2,2-diphenylacetate;ethene is sourced from PubChem (CID 174415265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).