3-(2-fluoro-4-nitrophenoxy)pyrrolidine

C10H11FN2O3 — CID 62328282

IUPAC3-(2-fluoro-4-nitrophenoxy)pyrrolidine
SMILESO=[N+]([O-])c1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-9-5-7(13(14)15)1-2-10(9)16-8-3-4-12-6-8/h1-2,5,8,12H,3-4,6H2
InChIKeyVSLCDTGYHMKNQH-UHFFFAOYSA-N
MW226.21 g/mol
LogP1.47
Rot. Bonds3

About 3-(2-fluoro-4-nitrophenoxy)pyrrolidine

3-(2-fluoro-4-nitrophenoxy)pyrrolidine (PubChem CID 62328282) has the molecular formula C10H11FN2O3 and a molecular weight of 226.21 g/mol. Its IUPAC name is 3-(2-fluoro-4-nitrophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(2-fluoro-4-nitrophenoxy)pyrrolidine
PubChem CID62328282
Molecular FormulaC10H11FN2O3
Molecular Weight226.21 g/mol
Exact Mass226.08
IUPAC Name3-(2-fluoro-4-nitrophenoxy)pyrrolidine
SMILESO=[N+]([O-])c1ccc(OC2CCNC2)c(F)c1
InChIInChI=1S/C10H11FN2O3/c11-9-5-7(13(14)15)1-2-10(9)16-8-3-4-12-6-8/h1-2,5,8,12H,3-4,6H2
InChIKeyVSLCDTGYHMKNQH-UHFFFAOYSA-N
XLogP1.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.21
LogP ≤ 51.47
H-Bond Donors ≤ 51
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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Related Compounds

3-(2,4-difluorophenoxy)pyrrolidine;hydrochloride
CID 86262649
3-(2-iodo-4-nitrophenoxy)piperidine
CID 66093717
4-(2,4-dinitrophenoxy)piperidine
CID 62342248
4-(2-bromo-4-nitrophenoxy)piperidine
CID 62347639
3-nitro-4-pyrrolidin-3-yloxybenzonitrile
CID 62327417
3-(4-chloro-5-fluoro-2-nitrophenoxy)pyrrolidine
CID 66079206
4-nitro-2-pyrrolidin-3-yloxypyridine
CID 62349345
5-nitro-2-pyrrolidin-3-yloxy-1,3-benzoxazole;hydrochloride
CID 71635922
5-nitro-2-[(3S)-pyrrolidin-3-yl]oxy-1,3-benzoxazole;hydrochloride
CID 71635918
5-nitro-2-[(3R)-pyrrolidin-3-yl]oxypyridine
CID 53255914
2-(3-fluoro-4-pyrrolidin-3-yloxyphenyl)ethanamine
CID 170886572
5-nitro-2-piperidin-4-yloxybenzamide
CID 62342062

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-nitrophenoxy)pyrrolidine?
The IUPAC name of 3-(2-fluoro-4-nitrophenoxy)pyrrolidine (CID 62328282) is 3-(2-fluoro-4-nitrophenoxy)pyrrolidine.
What is the SMILES notation for 3-(2-fluoro-4-nitrophenoxy)pyrrolidine?
The canonical SMILES for 3-(2-fluoro-4-nitrophenoxy)pyrrolidine is O=[N+]([O-])c1ccc(OC2CCNC2)c(F)c1.
What is the InChIKey of 3-(2-fluoro-4-nitrophenoxy)pyrrolidine?
The InChIKey is VSLCDTGYHMKNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O3/c11-9-5-7(13(14)15)1-2-10(9)16-8-3-4-12-6-8/h1-2,5,8,12H,3-4,6H2.
What are the key properties of 3-(2-fluoro-4-nitrophenoxy)pyrrolidine?
3-(2-fluoro-4-nitrophenoxy)pyrrolidine has a molecular weight of 226.21 g/mol, XLogP of 1.47, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-nitrophenoxy)pyrrolidine is sourced from PubChem (CID 62328282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).