3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine

C11H13FN2O3 — CID 76781898

IUPAC3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
SMILESNC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H13FN2O3/c12-7-1-4-10(14(15)16)11(5-7)17-9-3-2-8(13)6-9/h1,4-5,8-9H,2-3,6,13H2
InChIKeySQFNDAFIYCHAFV-UHFFFAOYSA-N
MW240.23 g/mol
LogP1.99
Rot. Bonds3

About 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine

3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine (PubChem CID 76781898) has the molecular formula C11H13FN2O3 and a molecular weight of 240.23 g/mol. Its IUPAC name is 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
PubChem CID76781898
Molecular FormulaC11H13FN2O3
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine
SMILESNC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])C1
InChIInChI=1S/C11H13FN2O3/c12-7-1-4-10(14(15)16)11(5-7)17-9-3-2-8(13)6-9/h1,4-5,8-9H,2-3,6,13H2
InChIKeySQFNDAFIYCHAFV-UHFFFAOYSA-N
XLogP1.99
TPSA78.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 51.99
H-Bond Donors ≤ 51
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

4-(5-fluoro-2-nitrophenoxy)cyclopentane-1,2-diol
CID 76781849
2-(3-bromocyclobutyl)oxy-4-fluoro-1-nitrobenzene
CID 66343806
3-(5-bromo-4-fluoro-2-nitrophenoxy)cyclopentan-1-amine
CID 116739740
2-(3,4-dimethoxycyclopentyl)oxy-4-fluoro-1-nitrobenzene
CID 76781895
3-(4-nitro-3-propan-2-yloxyphenoxy)cyclopentan-1-amine
CID 83013173
N-[4-(5-fluoro-2-nitrophenoxy)cyclohexyl]acetamide
CID 58421485
3-(5-chloro-2-nitrophenoxy)cyclobutan-1-amine
CID 66352004
8-(5-fluoro-2-nitrophenoxy)-1,4-dioxaspiro[4.5]decane
CID 58421665
tert-butyl-[(1S,3R)-3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 58421666
tert-butyl-[3-(5-fluoro-2-nitrophenoxy)cyclohexyl]oxy-dimethylsilane
CID 67385067
3-(5-fluoro-2-nitrophenoxy)spiro[3.5]nonan-1-amine
CID 66357950
3-(3-fluoro-5-nitrophenoxy)cyclopentan-1-amine
CID 79465301

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine?
The IUPAC name of 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine (CID 76781898) is 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine.
What is the SMILES notation for 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine?
The canonical SMILES for 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine is NC1CCC(Oc2cc(F)ccc2[N+](=O)[O-])C1.
What is the InChIKey of 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine?
The InChIKey is SQFNDAFIYCHAFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O3/c12-7-1-4-10(14(15)16)11(5-7)17-9-3-2-8(13)6-9/h1,4-5,8-9H,2-3,6,13H2.
What are the key properties of 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine?
3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine has a molecular weight of 240.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-nitrophenoxy)cyclopentan-1-amine is sourced from PubChem (CID 76781898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).