1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone

C13H13F2NO — CID 116584834

IUPAC1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
SMILESNC1C=CC(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H13F2NO/c14-10-2-4-12(15)9(5-10)7-13(17)8-1-3-11(16)6-8/h1-5,8,11H,6-7,16H2
InChIKeyYENVAVFGRYHTQZ-UHFFFAOYSA-N
MW237.25 g/mol
LogP1.98
Rot. Bonds3

About 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone

1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone (PubChem CID 116584834) has the molecular formula C13H13F2NO and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone.

Molecular Properties

Compound Name1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
PubChem CID116584834
Molecular FormulaC13H13F2NO
Molecular Weight237.25 g/mol
Exact Mass237.10
IUPAC Name1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone
SMILESNC1C=CC(C(=O)Cc2cc(F)ccc2F)C1
InChIInChI=1S/C13H13F2NO/c14-10-2-4-12(15)9(5-10)7-13(17)8-1-3-11(16)6-8/h1-5,8,11H,6-7,16H2
InChIKeyYENVAVFGRYHTQZ-UHFFFAOYSA-N
XLogP1.98
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(4-aminocyclopent-2-en-1-yl)-2-(2-chloro-4-fluorophenyl)ethanone
CID 116584926
1-(4-aminocyclopent-2-en-1-yl)-2-(2-methylphenyl)ethanone
CID 116584924
(4-aminocyclopent-2-en-1-yl)-(2-chloro-5-fluorophenyl)methanone
CID 105396498
2-(2,5-difluorophenyl)acetamide
CID 21245498
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
(2,5-difluorophenyl)methyl carbonochloridate
CID 83820147
2-(2,5-difluorophenyl)-1-piperidin-2-ylethanone
CID 116547766
2-(2,5-difluorophenyl)acetate
CID 6951702
3-amino-N-[(2,5-difluorophenyl)methyl]cyclobutane-1-carboxamide
CID 115161514
2-(2,5-difluorophenyl)-1-(1,1-dioxothian-2-yl)ethanone
CID 114964091
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
1-(2,4-difluorophenyl)-3-(2,5-difluorophenyl)propan-2-one
CID 64558874

Frequently Asked Questions

What is the IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone?
The IUPAC name of 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone (CID 116584834) is 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone.
What is the SMILES notation for 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone?
The canonical SMILES for 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone is NC1C=CC(C(=O)Cc2cc(F)ccc2F)C1.
What is the InChIKey of 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone?
The InChIKey is YENVAVFGRYHTQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2NO/c14-10-2-4-12(15)9(5-10)7-13(17)8-1-3-11(16)6-8/h1-5,8,11H,6-7,16H2.
What are the key properties of 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone?
1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone has a molecular weight of 237.25 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-aminocyclopent-2-en-1-yl)-2-(2,5-difluorophenyl)ethanone is sourced from PubChem (CID 116584834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).