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

C11H13ClFN — CID 112654463

IUPAC2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CCCN2)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-8(3-1-5-10(11)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2
InChIKeyDEOIQSKYDGEHTC-UHFFFAOYSA-N
MW213.68 g/mol
LogP2.77
Rot. Bonds2

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

2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine (PubChem CID 112654463) has the molecular formula C11H13ClFN and a molecular weight of 213.68 g/mol. Its IUPAC name is 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine.

Molecular Properties

Compound Name2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
PubChem CID112654463
Molecular FormulaC11H13ClFN
Molecular Weight213.68 g/mol
Exact Mass213.07
IUPAC Name2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
SMILESFc1cccc(CC2CCCN2)c1Cl
InChIInChI=1S/C11H13ClFN/c12-11-8(3-1-5-10(11)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2
InChIKeyDEOIQSKYDGEHTC-UHFFFAOYSA-N
XLogP2.77
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 ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[(2-chloro-3-fluorophenyl)methyl]azepane
CID 112654464
2-[(3-chloro-2-fluorophenyl)methyl]pyrrolidine
CID 114489582
2-[(2-chloro-3-methylphenyl)methyl]pyrrolidine
CID 117299743
2-fluoro-N,N-dimethyl-6-(pyrrolidin-2-ylmethyl)aniline
CID 117118269
N-[(2-chloro-3-fluorophenyl)methyl]-N-(pyrrolidin-2-ylmethyl)cyclopropanamine
CID 106599665
2-[(2-chloro-3-fluoro-4-methylphenyl)methyl]pyrrolidine
CID 117327912
2-[[2-(difluoromethyl)-3-fluorophenyl]methyl]piperidine
CID 117359790
2-chloro-6-(pyrrolidin-2-ylmethyl)aniline
CID 105464674
(2R)-2-[(2-methylphenyl)methyl]pyrrolidine
CID 7047857
3-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine
CID 84783122
2-[(3-chloro-2,4,5-trifluorophenyl)methyl]piperidine
CID 117118178
2-(piperidin-2-ylmethyl)aniline
CID 84662844

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The IUPAC name of 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine (CID 112654463) is 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine.
What is the SMILES notation for 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The canonical SMILES for 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine is Fc1cccc(CC2CCCN2)c1Cl.
What is the InChIKey of 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
The InChIKey is DEOIQSKYDGEHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClFN/c12-11-8(3-1-5-10(11)13)7-9-4-2-6-14-9/h1,3,5,9,14H,2,4,6-7H2.
What are the key properties of 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine?
2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine has a molecular weight of 213.68 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloro-3-fluorophenyl)methyl]pyrrolidine is sourced from PubChem (CID 112654463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).