3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine

C11H13ClFN — CID 84783122

IUPAC3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CCNC2)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-9(2-1-3-10(11)13)6-8-4-5-14-7-8/h1-3,8,14H,4-7H2
InChIKeyGPSWJOJCOJISKC-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.63
Rot. Bonds2

About 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine

3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine (PubChem CID 84783122) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
PubChem CID84783122
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CCNC2)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-9(2-1-3-10(11)13)6-8-4-5-14-7-8/h1-3,8,14H,4-7H2
InChIKeyGPSWJOJCOJISKC-UHFFFAOYSA-N
XLogP2.63
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.68
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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2-fluoro-N,N-dimethyl-6-(piperidin-3-ylmethyl)aniline
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2-fluoro-N,N-dimethyl-6-(piperidin-4-ylmethyl)aniline
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2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
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3-(2-chloro-3-fluorophenyl)pyrrolidine;hydrochloride
CID 169498402
N-[(2-fluorophenyl)methyl]-1-pyrrolidin-3-ylmethanamine
CID 115208851
2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
N-[(2-chloro-3-fluorophenyl)methyl]-N-(piperidin-3-ylmethyl)propan-2-amine
CID 106637313
4-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
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Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine (CID 84783122) is 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine is Fc1cccc(CC2CCNC2)c1Cl.
What is the InChIKey of 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The InChIKey is GPSWJOJCOJISKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-11-9(2-1-3-10(11)13)6-8-4-5-14-7-8/h1-3,8,14H,4-7H2.
What are the key properties of 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 84783122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).