N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide

C12H16FNO — CID 142910900

IUPACN-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)CC1=CC=C(F)C=CC1
InChIInChI=1S/C12H16FNO/c1-3-14(2)12(15)9-10-5-4-6-11(13)8-7-10/h4,6-8H,3,5,9H2,1-2H3
InChIKeyYFYDYFLVNJVWST-UHFFFAOYSA-N
MW209.26 g/mol
LogP2.59
Rot. Bonds3

About N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide

N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide (PubChem CID 142910900) has the molecular formula C12H16FNO and a molecular weight of 209.26 g/mol. Its IUPAC name is N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
PubChem CID142910900
Molecular FormulaC12H16FNO
Molecular Weight209.26 g/mol
Exact Mass209.12
IUPAC NameN-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide
SMILESCCN(C)C(=O)CC1=CC=C(F)C=CC1
InChIInChI=1S/C12H16FNO/c1-3-14(2)12(15)9-10-5-4-6-11(13)8-7-10/h4,6-8H,3,5,9H2,1-2H3
InChIKeyYFYDYFLVNJVWST-UHFFFAOYSA-N
XLogP2.59
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.26
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide?
The IUPAC name of N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide (CID 142910900) is N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide.
What is the SMILES notation for N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide?
The canonical SMILES for N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide is CCN(C)C(=O)CC1=CC=C(F)C=CC1.
What is the InChIKey of N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide?
The InChIKey is YFYDYFLVNJVWST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO/c1-3-14(2)12(15)9-10-5-4-6-11(13)8-7-10/h4,6-8H,3,5,9H2,1-2H3.
What are the key properties of N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide?
N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide has a molecular weight of 209.26 g/mol, XLogP of 2.59, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(4-fluorocyclohepta-1,3,5-trien-1-yl)-N-methylacetamide is sourced from PubChem (CID 142910900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).