(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride

C10H12ClFN2O2 — CID 171195941

IUPAC(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-3-4-10(13(14)15)8(6-7)9-2-1-5-12-9;/h3-4,6,9,12H,1-2,5H2;1H/t9-;/m1./s1
InChIKeySFJHWMONJBFCJN-SBSPUUFOSA-N
MW246.67 g/mol
LogP2.58
Rot. Bonds2

About (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride

(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride (PubChem CID 171195941) has the molecular formula C10H12ClFN2O2 and a molecular weight of 246.67 g/mol. Its IUPAC name is (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
PubChem CID171195941
Molecular FormulaC10H12ClFN2O2
Molecular Weight246.67 g/mol
Exact Mass246.06
IUPAC Name(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride
SMILESCl.O=[N+]([O-])c1ccc(F)cc1[C@H]1CCCN1
InChIInChI=1S/C10H11FN2O2.ClH/c11-7-3-4-10(13(14)15)8(6-7)9-2-1-5-12-9;/h3-4,6,9,12H,1-2,5H2;1H/t9-;/m1./s1
InChIKeySFJHWMONJBFCJN-SBSPUUFOSA-N
XLogP2.58
TPSA55.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.67
LogP ≤ 52.58
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

(2R)-2-(4-fluoro-2-nitrophenyl)piperidine;hydrochloride
CID 171195482
(2S)-2-(4-fluoro-2-nitrophenyl)piperidine
CID 131395482
2-(4-fluoro-2-nitrophenyl)azepane
CID 113417343
(2S)-2-(5-fluoro-2-nitrophenyl)piperazine
CID 171193759
(2S)-2-(5-chloro-2-nitrophenyl)piperidine
CID 131335859
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
(2R)-2-(2-nitrophenyl)piperidine;hydrochloride
CID 171195300
(4S)-4-(5-fluoro-2-nitrophenyl)imidazolidin-2-one
CID 171252708
CID 174947937
CID 174947937
(2R)-2-(4-methyl-2-nitrophenyl)pyrrolidine
CID 66519018
4-fluoro-2-pyrrolidin-2-ylphenol
CID 55283497
2-[(1R)-cyclohex-2-en-1-yl]-4-fluoro-1-nitrobenzene
CID 125485528

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride (CID 171195941) is (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride is Cl.O=[N+]([O-])c1ccc(F)cc1[C@H]1CCCN1.
What is the InChIKey of (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride?
The InChIKey is SFJHWMONJBFCJN-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H11FN2O2.ClH/c11-7-3-4-10(13(14)15)8(6-7)9-2-1-5-12-9;/h3-4,6,9,12H,1-2,5H2;1H/t9-;/m1./s1.
What are the key properties of (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride?
(2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride has a molecular weight of 246.67 g/mol, XLogP of 2.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-fluoro-2-nitrophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171195941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).