(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine

C11H16FN3O2 — CID 171205999

IUPAC(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16FN3O2/c12-8-4-5-11(15(16)17)9(7-8)10(14)3-1-2-6-13/h4-5,7,10H,1-3,6,13-14H2/t10-/m1/s1
InChIKeyRSFPUQCXEBFNQM-SNVBAGLBSA-N
MW241.27 g/mol
LogP1.86
Rot. Bonds6

About (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine

(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine (PubChem CID 171205999) has the molecular formula C11H16FN3O2 and a molecular weight of 241.27 g/mol. Its IUPAC name is (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine.

Molecular Properties

Compound Name(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
PubChem CID171205999
Molecular FormulaC11H16FN3O2
Molecular Weight241.27 g/mol
Exact Mass241.12
IUPAC Name(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine
SMILESNCCCC[C@@H](N)c1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C11H16FN3O2/c12-8-4-5-11(15(16)17)9(7-8)10(14)3-1-2-6-13/h4-5,7,10H,1-3,6,13-14H2/t10-/m1/s1
InChIKeyRSFPUQCXEBFNQM-SNVBAGLBSA-N
XLogP1.86
TPSA95.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.27
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(1R)-1-(4-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171206054
(4S)-4-amino-4-(5-fluoro-2-nitrophenyl)butan-1-ol
CID 171225623
(1S)-1-(5-chloro-2-nitrophenyl)pentane-1,5-diamine;hydrochloride
CID 171225953
(1R)-1-(5-fluoro-2-nitrophenyl)-4-methylpentan-1-amine;hydrochloride
CID 171206039
2-amino-2-(5-fluoro-2-nitrophenyl)ethanol
CID 77129849
(1R)-3,3-difluoro-1-(5-fluoro-2-nitrophenyl)propan-1-amine;hydrochloride
CID 171313687
(1R)-1-(2,5-difluorophenyl)pentane-1,5-diamine
CID 171204239
(1R)-1-(5-fluoro-2-methylphenyl)pentane-1,5-diamine
CID 171204385
(1S)-1-(2,5-difluorophenyl)pentane-1,5-diamine;hydrochloride
CID 171223814
(1S)-3-fluoro-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 171225652
(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
CID 171206065
(1R)-1-(2-nitrophenyl)butane-1,4-diamine
CID 171198283

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine?
The IUPAC name of (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine (CID 171205999) is (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine.
What is the SMILES notation for (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine?
The canonical SMILES for (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine is NCCCC[C@@H](N)c1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine?
The InChIKey is RSFPUQCXEBFNQM-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H16FN3O2/c12-8-4-5-11(15(16)17)9(7-8)10(14)3-1-2-6-13/h4-5,7,10H,1-3,6,13-14H2/t10-/m1/s1.
What are the key properties of (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine?
(1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine has a molecular weight of 241.27 g/mol, XLogP of 1.86, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(5-fluoro-2-nitrophenyl)pentane-1,5-diamine is sourced from PubChem (CID 171205999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).