3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine

C7H13ClFN — CID 80694827

IUPAC3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESFCCN1CCC(CCl)C1
InChIInChI=1S/C7H13ClFN/c8-5-7-1-3-10(6-7)4-2-9/h7H,1-6H2
InChIKeyGRNGYTKOJVYNQA-UHFFFAOYSA-N
MW165.64 g/mol
LogP1.52
Rot. Bonds3

About 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine

3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine (PubChem CID 80694827) has the molecular formula C7H13ClFN and a molecular weight of 165.64 g/mol. Its IUPAC name is 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine
PubChem CID80694827
Molecular FormulaC7H13ClFN
Molecular Weight165.64 g/mol
Exact Mass165.07
IUPAC Name3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine
SMILESFCCN1CCC(CCl)C1
InChIInChI=1S/C7H13ClFN/c8-5-7-1-3-10(6-7)4-2-9/h7H,1-6H2
InChIKeyGRNGYTKOJVYNQA-UHFFFAOYSA-N
XLogP1.52
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.64
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-(chloromethyl)-1-(3-pyrrolidin-1-ylpropyl)piperidine
CID 63386793
1-(2-fluoroethyl)piperidin-4-amine;dihydrochloride
CID 86637499
2-[1-(2-fluoroethyl)piperidin-3-yl]ethanamine
CID 80695268
1,3-bis(2-chloroethyl)pyrrolidine;hydrochloride
CID 69446979
3-(chloromethyl)-1-(2-methylpentyl)pyrrolidine
CID 63388562
3-(chloromethyl)-1-(3-naphthalen-1-yloxypropyl)pyrrolidine
CID 57150141
6-(2-fluoroethyl)-1-methyl-3,3a,4,5,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 130611601
1-(2-fluoroethyl)-3-methylpiperidin-4-amine
CID 80695776
2-[1-(2-aminoethyl)pyrrolidin-3-yl]ethanamine
CID 83963140
1-(2-fluoroethyl)-4-(hydroxymethyl)piperidin-3-ol
CID 131084208
(3R)-1-(2-chloroethyl)-3-fluoropyrrolidine
CID 130667245
(3S)-3-(chloromethyl)-1-methylpiperidine
CID 1268113

Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine (CID 80694827) is 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine is FCCN1CCC(CCl)C1.
What is the InChIKey of 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine?
The InChIKey is GRNGYTKOJVYNQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13ClFN/c8-5-7-1-3-10(6-7)4-2-9/h7H,1-6H2.
What are the key properties of 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine?
3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine has a molecular weight of 165.64 g/mol, XLogP of 1.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-(2-fluoroethyl)pyrrolidine is sourced from PubChem (CID 80694827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).