[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine

C11H13FN2O2 — CID 83412444

IUPAC[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2F)CCC1
InChIInChI=1S/C11H13FN2O2/c12-10-6-8(14(15)16)2-3-9(10)11(7-13)4-1-5-11/h2-3,6H,1,4-5,7,13H2
InChIKeyOZLXXRJBXXRPNJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.11
Rot. Bonds3

About [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine

[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine (PubChem CID 83412444) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine.

Molecular Properties

Compound Name[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
PubChem CID83412444
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
SMILESNCC1(c2ccc([N+](=O)[O-])cc2F)CCC1
InChIInChI=1S/C11H13FN2O2/c12-10-6-8(14(15)16)2-3-9(10)11(7-13)4-1-5-11/h2-3,6H,1,4-5,7,13H2
InChIKeyOZLXXRJBXXRPNJ-UHFFFAOYSA-N
XLogP2.11
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

[1-(2-fluoro-4-nitrophenyl)cyclopentyl]methanamine
CID 83412144
2-[1-(aminomethyl)cyclobutyl]-4-nitrophenol
CID 117317956
2-[1-(aminomethyl)cyclopentyl]-4-nitrophenol
CID 117344881
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
CID 83412153
[1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclopentyl]methanamine
CID 117424334
[1-(3,4-difluoro-5-nitrophenyl)cyclobutyl]methanamine
CID 117357181
[1-(4-nitrophenyl)cyclopropyl]methanamine
CID 16641700
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
2-[1-(aminomethyl)cyclopentyl]-4-fluoroaniline
CID 117047242
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
[1-(2-fluoro-5-methylphenyl)cyclobutyl]methanamine
CID 117284015
2-fluoro-1-[[1-(4-methylcyclohexyl)cyclobutyl]methyl]-4-nitrobenzene
CID 142228274

Frequently Asked Questions

What is the IUPAC name of [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine?
The IUPAC name of [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine (CID 83412444) is [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine.
What is the SMILES notation for [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine?
The canonical SMILES for [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine is NCC1(c2ccc([N+](=O)[O-])cc2F)CCC1.
What is the InChIKey of [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine?
The InChIKey is OZLXXRJBXXRPNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-6-8(14(15)16)2-3-9(10)11(7-13)4-1-5-11/h2-3,6H,1,4-5,7,13H2.
What are the key properties of [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine?
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine has a molecular weight of 224.23 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine is sourced from PubChem (CID 83412444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).