2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one

C14H16FNO4 — CID 114417282

IUPAC2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
SMILESCc1cc(OCCC2CCCC2=O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16FNO4/c1-9-7-14(11(15)8-12(9)16(18)19)20-6-5-10-3-2-4-13(10)17/h7-8,10H,2-6H2,1H3
InChIKeyXNIPKNZWMWYVIU-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.18
Rot. Bonds5

About 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one

2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one (PubChem CID 114417282) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
PubChem CID114417282
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one
SMILESCc1cc(OCCC2CCCC2=O)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C14H16FNO4/c1-9-7-14(11(15)8-12(9)16(18)19)20-6-5-10-3-2-4-13(10)17/h7-8,10H,2-6H2,1H3
InChIKeyXNIPKNZWMWYVIU-UHFFFAOYSA-N
XLogP3.18
TPSA69.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]piperidine
CID 114416727
2-[3-(2-fluoro-5-methyl-4-nitrophenoxy)propyl]pyrrolidine
CID 114416735
3-nitro-4-[2-(2-oxocyclopentyl)ethoxy]benzamide
CID 79577781
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethoxy]ethanethiol
CID 114418329
1-cyclopentyl-3-(2-fluoro-5-methyl-4-nitrophenoxy)propan-2-ol
CID 103160727
2-[2-(4-nitrophenoxy)ethyl]cyclopentan-1-one
CID 79564898
2-(2-fluoro-5-methyl-4-nitrophenoxy)acetic acid
CID 114416258
2-(2-fluoro-5-methyl-4-nitrophenoxy)cyclohexan-1-ol
CID 114417732
5-(2-fluoro-5-methyl-4-nitrophenoxy)-2,2-dimethylpentanenitrile
CID 114416696
2-[2-(2,6-dimethoxy-4-methylphenoxy)ethyl]cyclopentan-1-one
CID 79564826
1-fluoro-4-methyl-5-nitro-2-phenylmethoxybenzene
CID 22414647
[1-[(2-fluoro-5-methyl-4-nitrophenoxy)methyl]cyclohexyl]methanethiol
CID 114418331

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one?
The IUPAC name of 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one (CID 114417282) is 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one.
What is the SMILES notation for 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one?
The canonical SMILES for 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one is Cc1cc(OCCC2CCCC2=O)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one?
The InChIKey is XNIPKNZWMWYVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-9-7-14(11(15)8-12(9)16(18)19)20-6-5-10-3-2-4-13(10)17/h7-8,10H,2-6H2,1H3.
What are the key properties of 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one?
2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one has a molecular weight of 281.28 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-fluoro-5-methyl-4-nitrophenoxy)ethyl]cyclopentan-1-one is sourced from PubChem (CID 114417282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).