4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine

C11H18ClF2N — CID 130878255

IUPAC4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Cl)CN1CC1CCC(F)(F)C1
InChIInChI=1S/C11H18ClF2N/c1-8-4-10(12)7-15(8)6-9-2-3-11(13,14)5-9/h8-10H,2-7H2,1H3
InChIKeyURYOFDVHXVMERB-UHFFFAOYSA-N
MW237.72 g/mol
LogP3.12
Rot. Bonds2

About 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine

4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine (PubChem CID 130878255) has the molecular formula C11H18ClF2N and a molecular weight of 237.72 g/mol. Its IUPAC name is 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
PubChem CID130878255
Molecular FormulaC11H18ClF2N
Molecular Weight237.72 g/mol
Exact Mass237.11
IUPAC Name4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine
SMILESCC1CC(Cl)CN1CC1CCC(F)(F)C1
InChIInChI=1S/C11H18ClF2N/c1-8-4-10(12)7-15(8)6-9-2-3-11(13,14)5-9/h8-10H,2-7H2,1H3
InChIKeyURYOFDVHXVMERB-UHFFFAOYSA-N
XLogP3.12
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.72
LogP ≤ 53.12
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 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine (CID 130878255) is 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine is CC1CC(Cl)CN1CC1CCC(F)(F)C1.
What is the InChIKey of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine?
The InChIKey is URYOFDVHXVMERB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18ClF2N/c1-8-4-10(12)7-15(8)6-9-2-3-11(13,14)5-9/h8-10H,2-7H2,1H3.
What are the key properties of 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine?
4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine has a molecular weight of 237.72 g/mol, XLogP of 3.12, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(3,3-difluorocyclopentyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 130878255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).