1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine

C11H13FN2O2 — CID 83412153

IUPAC1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C11H13FN2O2/c12-10-7-8(14(15)16)3-4-9(10)11(13)5-1-2-6-11/h3-4,7H,1-2,5-6,13H2
InChIKeyZOOCVABHXMTDDJ-UHFFFAOYSA-N
MW224.23 g/mol
LogP2.46
Rot. Bonds2

About 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine

1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine (PubChem CID 83412153) has the molecular formula C11H13FN2O2 and a molecular weight of 224.23 g/mol. Its IUPAC name is 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine.

Molecular Properties

Compound Name1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
PubChem CID83412153
Molecular FormulaC11H13FN2O2
Molecular Weight224.23 g/mol
Exact Mass224.10
IUPAC Name1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine
SMILESNC1(c2ccc([N+](=O)[O-])cc2F)CCCC1
InChIInChI=1S/C11H13FN2O2/c12-10-7-8(14(15)16)3-4-9(10)11(13)5-1-2-6-11/h3-4,7H,1-2,5-6,13H2
InChIKeyZOOCVABHXMTDDJ-UHFFFAOYSA-N
XLogP2.46
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.23
LogP ≤ 52.46
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
[1-(2-fluoro-4-nitrophenyl)cyclobutyl]methanamine
CID 83412444
1-(3-fluoro-2-methoxy-5-nitrophenyl)cyclohexan-1-amine
CID 117424308
1-(2,4-difluorophenyl)cyclohexan-1-amine
CID 62802198
1-(4-bromo-2-fluorophenyl)cyclopentan-1-amine
CID 83412154
4-(1-aminocyclobutyl)-3-fluoroaniline
CID 83412510
3-nitrospiro[6,7,8,9-tetrahydrobenzo[7]annulene-5,1'-cyclopropane]
CID 59218410
1-[(2-fluoro-4-nitrophenoxy)methyl]cyclohexan-1-ol
CID 65213546
1-(5-fluoro-2-nitrophenyl)cyclopropan-1-amine
CID 130160401
1-[(2-fluoro-4-nitroanilino)methyl]cyclohexan-1-ol
CID 62404749
N-[1-(aminomethyl)cyclopentyl]-2-fluoro-4-nitrobenzamide;hydrochloride
CID 119567681
(2-fluoro-4-nitrophenyl)-trimethyl-λ4-sulfane
CID 126615200

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine?
The IUPAC name of 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine (CID 83412153) is 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine.
What is the SMILES notation for 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine?
The canonical SMILES for 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine is NC1(c2ccc([N+](=O)[O-])cc2F)CCCC1.
What is the InChIKey of 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine?
The InChIKey is ZOOCVABHXMTDDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O2/c12-10-7-8(14(15)16)3-4-9(10)11(13)5-1-2-6-11/h3-4,7H,1-2,5-6,13H2.
What are the key properties of 1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine?
1-(2-fluoro-4-nitrophenyl)cyclopentan-1-amine has a molecular weight of 224.23 g/mol, XLogP of 2.46, 2 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)cyclopentan-1-amine is sourced from PubChem (CID 83412153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).