(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride

C10H9ClF5N — CID 171196031

IUPAC(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1c(F)c(F)c([C@H]2CCCN2)c(F)c1F
InChIInChI=1S/C10H8F5N.ClH/c11-6-5(4-2-1-3-16-4)7(12)9(14)10(15)8(6)13;/h4,16H,1-3H2;1H/t4-;/m1./s1
InChIKeyFEUWSADVJRCSBZ-PGMHMLKASA-N
MW273.63 g/mol
LogP3.23
Rot. Bonds1

About (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride

(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride (PubChem CID 171196031) has the molecular formula C10H9ClF5N and a molecular weight of 273.63 g/mol. Its IUPAC name is (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
PubChem CID171196031
Molecular FormulaC10H9ClF5N
Molecular Weight273.63 g/mol
Exact Mass273.03
IUPAC Name(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1c(F)c(F)c([C@H]2CCCN2)c(F)c1F
InChIInChI=1S/C10H8F5N.ClH/c11-6-5(4-2-1-3-16-4)7(12)9(14)10(15)8(6)13;/h4,16H,1-3H2;1H/t4-;/m1./s1
InChIKeyFEUWSADVJRCSBZ-PGMHMLKASA-N
XLogP3.23
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.63
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-(2,3,4,5,6-pentafluorophenyl)azetidine
CID 71751503
2-(2,6-difluoro-3-methylphenyl)pyrrolidine;hydrochloride
CID 138040825
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
3,5-difluoro-4-[(2S)-pyrrolidin-2-yl]aniline
CID 66518605
3,5-difluoro-4-[(2R)-pyrrolidin-2-yl]aniline
CID 66518606
(2R)-2-(2,6-difluoro-3-methylphenyl)pyrrolidine
CID 66518496
2,4-difluoro-3-pyrrolidin-2-ylphenol
CID 84775150
(2R)-2-(4-bromo-2,6-difluorophenyl)pyrrolidine
CID 130663850
(2S)-2-(2,6-difluoro-3-methoxyphenyl)pyrrolidine;hydrochloride
CID 171196574
2-(2,6-difluoro-3-methylsulfanylphenyl)pyrrolidine
CID 117330920
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
(2R)-2-(2,3,4,5,6-pentafluorophenyl)piperazine;hydrochloride
CID 171194542

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride (CID 171196031) is (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1c(F)c(F)c([C@H]2CCCN2)c(F)c1F.
What is the InChIKey of (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is FEUWSADVJRCSBZ-PGMHMLKASA-N. The full InChI is InChI=1S/C10H8F5N.ClH/c11-6-5(4-2-1-3-16-4)7(12)9(14)10(15)8(6)13;/h4,16H,1-3H2;1H/t4-;/m1./s1.
What are the key properties of (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride?
(2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 273.63 g/mol, XLogP of 3.23, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2,3,4,5,6-pentafluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).