(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine

C9H11FN2O2 — CID 131159061

IUPAC(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-8(11)7-4-3-6(10)5-9(7)12(13)14/h3-5,8H,2,11H2,1H3/t8-/m1/s1
InChIKeyTXECKHTUYXGCGS-MRVPVSSYSA-N
MW198.20 g/mol
LogP2.14
Rot. Bonds3

About (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine

(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine (PubChem CID 131159061) has the molecular formula C9H11FN2O2 and a molecular weight of 198.20 g/mol. Its IUPAC name is (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine.

Molecular Properties

Compound Name(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
PubChem CID131159061
Molecular FormulaC9H11FN2O2
Molecular Weight198.20 g/mol
Exact Mass198.08
IUPAC Name(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine
SMILESCC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C9H11FN2O2/c1-2-8(11)7-4-3-6(10)5-9(7)12(13)14/h3-5,8H,2,11H2,1H3/t8-/m1/s1
InChIKeyTXECKHTUYXGCGS-MRVPVSSYSA-N
XLogP2.14
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.20
LogP ≤ 52.14
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

(1R)-1-(4-fluoro-2-nitrophenyl)hexan-1-amine
CID 171206065
(1S)-1-(4-fluoro-2-nitrophenyl)-4-methylpentan-1-amine
CID 171225670
ethyl (3R)-3-amino-3-(4-fluoro-2-nitrophenyl)propanoate
CID 171206098
(1S)-3-fluoro-1-(4-fluoro-2-nitrophenyl)propan-1-amine
CID 171225652
(1R)-1-(4-fluoro-2-nitrophenyl)pentane-1,5-diamine
CID 171206054
(1R,2S)-1-amino-1-(4-fluoro-2-nitrophenyl)-3-methylbutan-2-ol
CID 171262745
methyl (2S)-2-amino-2-(4-fluoro-2-nitrophenyl)acetate
CID 171206095
(1S)-1-(5-fluoro-2-nitrophenyl)-2-methylbutan-1-amine;hydrochloride
CID 171225614
2-[(1S)-1-aminopropyl]-6-nitroaniline
CID 55268839
1-(4-fluoro-2-methylphenyl)propan-1-amine
CID 62790852
(S)-cyclopropyl-(4-fluoro-2-nitrophenyl)methanamine;hydrochloride
CID 171225655
1-[1-(4-fluoro-2-nitrophenyl)triazol-4-yl]propan-1-amine
CID 106226952

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine?
The IUPAC name of (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine (CID 131159061) is (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine.
What is the SMILES notation for (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine?
The canonical SMILES for (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine is CC[C@@H](N)c1ccc(F)cc1[N+](=O)[O-].
What is the InChIKey of (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine?
The InChIKey is TXECKHTUYXGCGS-MRVPVSSYSA-N. The full InChI is InChI=1S/C9H11FN2O2/c1-2-8(11)7-4-3-6(10)5-9(7)12(13)14/h3-5,8H,2,11H2,1H3/t8-/m1/s1.
What are the key properties of (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine?
(1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine has a molecular weight of 198.20 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-fluoro-2-nitrophenyl)propan-1-amine is sourced from PubChem (CID 131159061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).