3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine

C11H14FN3O2 — CID 79461374

IUPAC3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C11H14FN3O2/c12-10-6-9(15(16)17)3-4-11(10)14-8-2-1-7(13)5-8/h3-4,6-8,14H,1-2,5,13H2
InChIKeyKQVNVXCQJVKHBI-UHFFFAOYSA-N
MW239.25 g/mol
LogP2.03
Rot. Bonds3

About 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine

3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine (PubChem CID 79461374) has the molecular formula C11H14FN3O2 and a molecular weight of 239.25 g/mol. Its IUPAC name is 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
PubChem CID79461374
Molecular FormulaC11H14FN3O2
Molecular Weight239.25 g/mol
Exact Mass239.11
IUPAC Name3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine
SMILESNC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1
InChIInChI=1S/C11H14FN3O2/c12-10-6-9(15(16)17)3-4-11(10)14-8-2-1-7(13)5-8/h3-4,6-8,14H,1-2,5,13H2
InChIKeyKQVNVXCQJVKHBI-UHFFFAOYSA-N
XLogP2.03
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.25
LogP ≤ 52.03
H-Bond Donors ≤ 52
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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Frequently Asked Questions

What is the IUPAC name of 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine (CID 79461374) is 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine is NC1CCC(Nc2ccc([N+](=O)[O-])cc2F)C1.
What is the InChIKey of 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine?
The InChIKey is KQVNVXCQJVKHBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O2/c12-10-6-9(15(16)17)3-4-11(10)14-8-2-1-7(13)5-8/h3-4,6-8,14H,1-2,5,13H2.
What are the key properties of 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine?
3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine has a molecular weight of 239.25 g/mol, XLogP of 2.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(2-fluoro-4-nitrophenyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 79461374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).