1-(2-chloro-3,6-difluorophenyl)pyrrolidine

C10H10ClF2N — CID 168513043

IUPAC1-(2-chloro-3,6-difluorophenyl)pyrrolidine
SMILESFc1ccc(F)c(N2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF2N/c11-9-7(12)3-4-8(13)10(9)14-5-1-2-6-14/h3-4H,1-2,5-6H2
InChIKeyPEZGCJCVQZXXGW-UHFFFAOYSA-N
MW217.65 g/mol
LogP3.22
Rot. Bonds1

About 1-(2-chloro-3,6-difluorophenyl)pyrrolidine

1-(2-chloro-3,6-difluorophenyl)pyrrolidine (PubChem CID 168513043) has the molecular formula C10H10ClF2N and a molecular weight of 217.65 g/mol. Its IUPAC name is 1-(2-chloro-3,6-difluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(2-chloro-3,6-difluorophenyl)pyrrolidine
PubChem CID168513043
Molecular FormulaC10H10ClF2N
Molecular Weight217.65 g/mol
Exact Mass217.05
IUPAC Name1-(2-chloro-3,6-difluorophenyl)pyrrolidine
SMILESFc1ccc(F)c(N2CCCC2)c1Cl
InChIInChI=1S/C10H10ClF2N/c11-9-7(12)3-4-8(13)10(9)14-5-1-2-6-14/h3-4H,1-2,5-6H2
InChIKeyPEZGCJCVQZXXGW-UHFFFAOYSA-N
XLogP3.22
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.65
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(4-chloro-2,6-difluorophenyl)pyrrolidine
CID 168512042
6-bromo-3-fluoro-2-pyrrolidin-1-ylphenol
CID 168515676
1-(2-fluoro-6-pyrrolidin-1-ylphenyl)piperidine
CID 168514829
2-chloro-3,5-difluoro-4-piperidin-1-ylaniline
CID 106701631
2-(azepan-1-yl)-3,4-difluoroaniline
CID 62533316
2-(azepan-1-yl)-3-fluoroaniline
CID 81311219
6-chloro-3-fluoro-2-piperidin-1-ylpyridine
CID 123272498
(3-fluoro-2-pyrrolidin-1-ylphenyl)methanamine
CID 82505256
3-fluoro-2-piperidin-1-ylbenzoic acid
CID 62649816
1-benzyl-4-chloro-5-fluoro-3-piperidin-1-ylindole-2-carboxylic acid
CID 155377024
6-fluoro-1-azatricyclo[7.3.1.05,13]trideca-5,7,9(13)-triene
CID 138981773
1-(2-bromo-6-chloro-4-fluorophenyl)pyrrolidine
CID 84714851

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-3,6-difluorophenyl)pyrrolidine?
The IUPAC name of 1-(2-chloro-3,6-difluorophenyl)pyrrolidine (CID 168513043) is 1-(2-chloro-3,6-difluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(2-chloro-3,6-difluorophenyl)pyrrolidine?
The canonical SMILES for 1-(2-chloro-3,6-difluorophenyl)pyrrolidine is Fc1ccc(F)c(N2CCCC2)c1Cl.
What is the InChIKey of 1-(2-chloro-3,6-difluorophenyl)pyrrolidine?
The InChIKey is PEZGCJCVQZXXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF2N/c11-9-7(12)3-4-8(13)10(9)14-5-1-2-6-14/h3-4H,1-2,5-6H2.
What are the key properties of 1-(2-chloro-3,6-difluorophenyl)pyrrolidine?
1-(2-chloro-3,6-difluorophenyl)pyrrolidine has a molecular weight of 217.65 g/mol, XLogP of 3.22, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-3,6-difluorophenyl)pyrrolidine is sourced from PubChem (CID 168513043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).