2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide

C11H15ClFNO3 — CID 175308251

IUPAC2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCOCCOC1(F)C=CC(Cl)=CC1CC(N)=O
InChIInChI=1S/C11H15ClFNO3/c1-16-4-5-17-11(13)3-2-9(12)6-8(11)7-10(14)15/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15)
InChIKeyDDOMMVDLCAPITI-UHFFFAOYSA-N
MW263.70 g/mol
LogP1.50
Rot. Bonds6

About 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide

2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide (PubChem CID 175308251) has the molecular formula C11H15ClFNO3 and a molecular weight of 263.70 g/mol. Its IUPAC name is 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide.

Molecular Properties

Compound Name2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide
PubChem CID175308251
Molecular FormulaC11H15ClFNO3
Molecular Weight263.70 g/mol
Exact Mass263.07
IUPAC Name2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide
SMILESCOCCOC1(F)C=CC(Cl)=CC1CC(N)=O
InChIInChI=1S/C11H15ClFNO3/c1-16-4-5-17-11(13)3-2-9(12)6-8(11)7-10(14)15/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15)
InChIKeyDDOMMVDLCAPITI-UHFFFAOYSA-N
XLogP1.50
TPSA61.55 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.70
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide?
The IUPAC name of 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide (CID 175308251) is 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide.
What is the SMILES notation for 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide?
The canonical SMILES for 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide is COCCOC1(F)C=CC(Cl)=CC1CC(N)=O.
What is the InChIKey of 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide?
The InChIKey is DDOMMVDLCAPITI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClFNO3/c1-16-4-5-17-11(13)3-2-9(12)6-8(11)7-10(14)15/h2-3,6,8H,4-5,7H2,1H3,(H2,14,15).
What are the key properties of 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide?
2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide has a molecular weight of 263.70 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-6-fluoro-6-(2-methoxyethoxy)cyclohexa-2,4-dien-1-yl]acetamide is sourced from PubChem (CID 175308251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).