2-(5-chloro-2,3-difluorophenyl)pyrrolidine

C10H10ClF2N — CID 84785733

IUPAC2-(5-chloro-2,3-difluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc(C2CCCN2)c1F
InChIInChI=1S/C10H10ClF2N/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3H2
InChIKeyDVJJTJLFLJOMEW-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.04
Rot. Bonds1

About 2-(5-chloro-2,3-difluorophenyl)pyrrolidine

2-(5-chloro-2,3-difluorophenyl)pyrrolidine (PubChem CID 84785733) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 2-(5-chloro-2,3-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-(5-chloro-2,3-difluorophenyl)pyrrolidine
PubChem CID84785733
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name2-(5-chloro-2,3-difluorophenyl)pyrrolidine
SMILESFc1cc(Cl)cc(C2CCCN2)c1F
InChIInChI=1S/C10H10ClF2N/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3H2
InChIKeyDVJJTJLFLJOMEW-UHFFFAOYSA-N
XLogP3.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.04
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-(5-chloro-2,3-difluorophenyl)piperidine
CID 84795035
2-(2,3,5-trifluorophenyl)pyrrolidine
CID 77131470
(2S)-2-(2,3,5-trifluorophenyl)pyrrolidine;hydrochloride
CID 171196335
2-(4-chloro-2-fluorophenyl)pyrrolidine;hydrochloride
CID 170920629
2-(3-bromo-2,4,5-trifluorophenyl)pyrrolidine
CID 117116819
(2S)-2-(2,5-difluorophenyl)pyrrolidine
CID 7176288
2,4-dichloro-6-[(2S)-pyrrolidin-2-yl]aniline
CID 66519219
(2S)-2-(4-chloro-2-fluoro-5-methylphenyl)pyrrolidine
CID 66518685
(2R)-2-(2-bromo-5-chlorophenyl)pyrrolidine;hydrochloride
CID 171195900
2-(2-chloro-4-fluorophenyl)pyrrolidine;hydrochloride
CID 77131964
(2S)-2-(3-chloro-2,6-difluorophenyl)pyrrolidine;hydrochloride
CID 171196413
(2S)-2-(3-chloro-5-fluorophenyl)pyrrolidine
CID 66518568

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2,3-difluorophenyl)pyrrolidine?
The IUPAC name of 2-(5-chloro-2,3-difluorophenyl)pyrrolidine (CID 84785733) is 2-(5-chloro-2,3-difluorophenyl)pyrrolidine.
What is the SMILES notation for 2-(5-chloro-2,3-difluorophenyl)pyrrolidine?
The canonical SMILES for 2-(5-chloro-2,3-difluorophenyl)pyrrolidine is Fc1cc(Cl)cc(C2CCCN2)c1F.
What is the InChIKey of 2-(5-chloro-2,3-difluorophenyl)pyrrolidine?
The InChIKey is DVJJTJLFLJOMEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-6-4-7(9-2-1-3-14-9)10(13)8(12)5-6/h4-5,9,14H,1-3H2.
What are the key properties of 2-(5-chloro-2,3-difluorophenyl)pyrrolidine?
2-(5-chloro-2,3-difluorophenyl)pyrrolidine has a molecular weight of 217.65 g/mol, XLogP of 3.04, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2,3-difluorophenyl)pyrrolidine is sourced from PubChem (CID 84785733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).