(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride

C8H9Cl2FN2O2 — CID 171225891

IUPAC(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClFN2O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,11H2;1H/t7-;/m0./s1
InChIKeySFMJKADDGRGGOP-FJXQXJEOSA-N
MW255.08 g/mol
LogP2.64
Rot. Bonds3

About (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride

(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride (PubChem CID 171225891) has the molecular formula C8H9Cl2FN2O2 and a molecular weight of 255.08 g/mol. Its IUPAC name is (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride.

Molecular Properties

Compound Name(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
PubChem CID171225891
Molecular FormulaC8H9Cl2FN2O2
Molecular Weight255.08 g/mol
Exact Mass254.00
IUPAC Name(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride
SMILESCl.N[C@@H](CF)c1ccc(Cl)c([N+](=O)[O-])c1
InChIInChI=1S/C8H8ClFN2O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,11H2;1H/t7-;/m0./s1
InChIKeySFMJKADDGRGGOP-FJXQXJEOSA-N
XLogP2.64
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.08
LogP ≤ 52.64
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-chloro-3-nitrophenyl)ethane-1,2-diamine;hydrochloride
CID 171225892
(1R)-1-(4-chloro-3-nitrophenyl)-3,3-difluoropropan-1-amine
CID 171313698
(1R)-1-(4-chloro-3-nitrophenyl)-2-cyclopropylethanamine;hydrochloride
CID 171206339
(1S)-1-(4-chloro-3-nitrophenyl)-3-methylbut-3-en-1-amine;hydrochloride
CID 171225933
4-[(1S)-1-amino-2-fluoroethyl]-2-nitrophenol
CID 130623751
ethyl (3R)-3-amino-3-(4-chloro-3-nitrophenyl)propanoate;hydrochloride
CID 171206368
(3S)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171248472
(3R)-3-amino-3-(4-chloro-3-nitrophenyl)-2,2-difluoropropan-1-ol;hydrochloride
CID 171241749
5-(1-amino-2-fluoroethyl)-2-nitrophenol
CID 131057445
(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)propan-2-ol
CID 131600174
(1S,2R)-1-amino-1-(4-chloro-3-nitrophenyl)butan-2-ol
CID 171268516
2-[(1S)-1-amino-2-fluoroethyl]-6-chloro-3-nitrophenol;hydrochloride
CID 171258755

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride?
The IUPAC name of (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride (CID 171225891) is (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride.
What is the SMILES notation for (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride?
The canonical SMILES for (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride is Cl.N[C@@H](CF)c1ccc(Cl)c([N+](=O)[O-])c1.
What is the InChIKey of (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride?
The InChIKey is SFMJKADDGRGGOP-FJXQXJEOSA-N. The full InChI is InChI=1S/C8H8ClFN2O2.ClH/c9-6-2-1-5(7(11)4-10)3-8(6)12(13)14;/h1-3,7H,4,11H2;1H/t7-;/m0./s1.
What are the key properties of (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride?
(1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride has a molecular weight of 255.08 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(4-chloro-3-nitrophenyl)-2-fluoroethanamine;hydrochloride is sourced from PubChem (CID 171225891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).