4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline

C12H14Cl2FNO — CID 18725509

IUPAC4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cc(OCC=C(Cl)Cl)cc(F)c1NC
InChIInChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3
InChIKeyKEVSGOMQMYKOCV-UHFFFAOYSA-N
MW278.15 g/mol
LogP4.13
Rot. Bonds5

About 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline

4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline (PubChem CID 18725509) has the molecular formula C12H14Cl2FNO and a molecular weight of 278.15 g/mol. Its IUPAC name is 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline.

Molecular Properties

Compound Name4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
PubChem CID18725509
Molecular FormulaC12H14Cl2FNO
Molecular Weight278.15 g/mol
Exact Mass277.04
IUPAC Name4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline
SMILESCCc1cc(OCC=C(Cl)Cl)cc(F)c1NC
InChIInChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3
InChIKeyKEVSGOMQMYKOCV-UHFFFAOYSA-N
XLogP4.13
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.15
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The IUPAC name of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline (CID 18725509) is 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline.
What is the SMILES notation for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The canonical SMILES for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline is CCc1cc(OCC=C(Cl)Cl)cc(F)c1NC.
What is the InChIKey of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
The InChIKey is KEVSGOMQMYKOCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2FNO/c1-3-8-6-9(17-5-4-11(13)14)7-10(15)12(8)16-2/h4,6-7,16H,3,5H2,1-2H3.
What are the key properties of 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline?
4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline has a molecular weight of 278.15 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dichloroprop-2-enoxy)-2-ethyl-6-fluoro-N-methylaniline is sourced from PubChem (CID 18725509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).