3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline

C10H13FN2 — CID 130614762

IUPAC3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
SMILESNc1cc(F)cc([C@H]2CCCN2)c1
InChIInChI=1S/C10H13FN2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3,12H2/t10-/m1/s1
InChIKeyUBRVWXIDLKGHND-SNVBAGLBSA-N
MW180.23 g/mol
LogP1.83
Rot. Bonds1

About 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline

3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline (PubChem CID 130614762) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline.

Molecular Properties

Compound Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
PubChem CID130614762
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline
SMILESNc1cc(F)cc([C@H]2CCCN2)c1
InChIInChI=1S/C10H13FN2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3,12H2/t10-/m1/s1
InChIKeyUBRVWXIDLKGHND-SNVBAGLBSA-N
XLogP1.83
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568
3-fluoro-5-[(2R)-pyrrolidin-2-yl]benzonitrile
CID 66518446
2-(3-fluoro-5-methylphenyl)piperidine
CID 55297533
2-(3-fluoro-5-propan-2-ylphenyl)pyrrolidine
CID 84779760
3-fluoro-5-[(2S)-pyrrolidin-2-yl]benzoic acid;hydrochloride
CID 162344515
3,5-difluoro-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66518605
3,5-difluoro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518606
2-(3-bromo-4,5-difluorophenyl)pyrrolidine
CID 117409353
2-(3,5-difluoro-4-methoxyphenyl)pyrrolidine
CID 77131566
2-(4-tert-butyl-3,5-difluorophenyl)pyrrolidine
CID 170256865
2-[3-fluoro-4-(fluoromethyl)-5-methylphenyl]pyrrolidine
CID 84678483
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline?
The IUPAC name of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline (CID 130614762) is 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline.
What is the SMILES notation for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline?
The canonical SMILES for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline is Nc1cc(F)cc([C@H]2CCCN2)c1.
What is the InChIKey of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline?
The InChIKey is UBRVWXIDLKGHND-SNVBAGLBSA-N. The full InChI is InChI=1S/C10H13FN2/c11-8-4-7(5-9(12)6-8)10-2-1-3-13-10/h4-6,10,13H,1-3,12H2/t10-/m1/s1.
What are the key properties of 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline?
3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline has a molecular weight of 180.23 g/mol, XLogP of 1.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(2R)-pyrrolidin-2-yl]aniline is sourced from PubChem (CID 130614762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).