(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride

C10H11ClF3N — CID 171196335

IUPAC(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(F)c(F)c([C@@H]2CCCN2)c1
InChIInChI=1S/C10H10F3N.ClH/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6;/h4-5,9,14H,1-3H2;1H/t9-;/m0./s1
InChIKeyNYJHPMNXXUEVNP-FVGYRXGTSA-N
MW237.65 g/mol
LogP2.95
Rot. Bonds1

About (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride

(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride (PubChem CID 171196335) has the molecular formula C10H11ClF3N and a molecular weight of 237.65 g/mol. Its IUPAC name is (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride.

Molecular Properties

Compound Name(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
PubChem CID171196335
Molecular FormulaC10H11ClF3N
Molecular Weight237.65 g/mol
Exact Mass237.05
IUPAC Name(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
SMILESCl.Fc1cc(F)c(F)c([C@@H]2CCCN2)c1
InChIInChI=1S/C10H10F3N.ClH/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6;/h4-5,9,14H,1-3H2;1H/t9-;/m0./s1
InChIKeyNYJHPMNXXUEVNP-FVGYRXGTSA-N
XLogP2.95
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.65
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
2-(5-chloro-2,3-difluorophenyl)pyrrolidine
CID 84785733
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
(2S)-2-(3,5-difluoro-2-methoxyphenyl)pyrrolidine
CID 66518820
2-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
CID 174947937
CID 174947937
(3R)-3-(2,3,5-trifluorophenyl)morpholine
CID 131262758
2-(5-fluoro-3-methoxy-2-methylphenyl)pyrrolidine
CID 84677004
(2S)-2-(6-fluoro-2,3-dihydro-1H-inden-4-yl)pyrrolidine
CID 66519043
2-(2,3-difluoro-5-methylsulfonylphenyl)piperidine
CID 117440261
2-[2,3-difluoro-5-(2-fluoropropan-2-yl)phenyl]piperidine
CID 117396450

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride?
The IUPAC name of (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride (CID 171196335) is (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride.
What is the SMILES notation for (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride?
The canonical SMILES for (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride is Cl.Fc1cc(F)c(F)c([C@@H]2CCCN2)c1.
What is the InChIKey of (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride?
The InChIKey is NYJHPMNXXUEVNP-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H10F3N.ClH/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6;/h4-5,9,14H,1-3H2;1H/t9-;/m0./s1.
What are the key properties of (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride?
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride has a molecular weight of 237.65 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride is sourced from PubChem (CID 171196335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).