3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine

C11H18ClF2N — CID 130487561

IUPAC3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine
SMILESFC1(F)CCC(CN2CCC(CCl)C2)C1
InChIInChI=1S/C11H18ClF2N/c12-6-10-2-4-15(8-10)7-9-1-3-11(13,14)5-9/h9-10H,1-8H2
InChIKeyYVRVVFXGCSGBDD-UHFFFAOYSA-N
MW237.72 g/mol
LogP2.98
Rot. Bonds3

About 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine

3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine (PubChem CID 130487561) has the molecular formula C11H18ClF2N and a molecular weight of 237.72 g/mol. Its IUPAC name is 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine.

Molecular Properties

Compound Name3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine
PubChem CID130487561
Molecular FormulaC11H18ClF2N
Molecular Weight237.72 g/mol
Exact Mass237.11
IUPAC Name3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine
SMILESFC1(F)CCC(CN2CCC(CCl)C2)C1
InChIInChI=1S/C11H18ClF2N/c12-6-10-2-4-15(8-10)7-9-1-3-11(13,14)5-9/h9-10H,1-8H2
InChIKeyYVRVVFXGCSGBDD-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine?
The IUPAC name of 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine (CID 130487561) is 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine.
What is the SMILES notation for 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine?
The canonical SMILES for 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine is FC1(F)CCC(CN2CCC(CCl)C2)C1.
What is the InChIKey of 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine?
The InChIKey is YVRVVFXGCSGBDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF2N/c12-6-10-2-4-15(8-10)7-9-1-3-11(13,14)5-9/h9-10H,1-8H2.
What are the key properties of 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine?
3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine has a molecular weight of 237.72 g/mol, XLogP of 2.98, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(chloromethyl)-1-[(3,3-difluorocyclopentyl)methyl]pyrrolidine is sourced from PubChem (CID 130487561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).