ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate

C12H12Cl2FNO2 — CID 2320340

IUPACethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1
InChIInChI=1S/C12H12Cl2FNO2/c1-3-18-12(17)16-10(11(13)14)8-5-4-7(2)9(15)6-8/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyAHLYHHFYXJOCKE-UHFFFAOYSA-N
MW292.14 g/mol
LogP3.98
Rot. Bonds3

About ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate

ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate (PubChem CID 2320340) has the molecular formula C12H12Cl2FNO2 and a molecular weight of 292.14 g/mol. Its IUPAC name is ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate.

Molecular Properties

Compound Nameethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate
PubChem CID2320340
Molecular FormulaC12H12Cl2FNO2
Molecular Weight292.14 g/mol
Exact Mass291.02
IUPAC Nameethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate
SMILESCCOC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1
InChIInChI=1S/C12H12Cl2FNO2/c1-3-18-12(17)16-10(11(13)14)8-5-4-7(2)9(15)6-8/h4-6H,3H2,1-2H3,(H,16,17)
InChIKeyAHLYHHFYXJOCKE-UHFFFAOYSA-N
XLogP3.98
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate?
The IUPAC name of ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate (CID 2320340) is ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate.
What is the SMILES notation for ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate?
The canonical SMILES for ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate is CCOC(=O)NC(=C(Cl)Cl)c1ccc(C)c(F)c1.
What is the InChIKey of ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate?
The InChIKey is AHLYHHFYXJOCKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2FNO2/c1-3-18-12(17)16-10(11(13)14)8-5-4-7(2)9(15)6-8/h4-6H,3H2,1-2H3,(H,16,17).
What are the key properties of ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate?
ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate has a molecular weight of 292.14 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[2,2-dichloro-1-(3-fluoro-4-methylphenyl)ethenyl]carbamate is sourced from PubChem (CID 2320340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).