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

C10H16ClF2N — CID 130769976

IUPAC3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine
SMILESCC1CN(CC2CC(F)(F)C2)CC1Cl
InChIInChI=1S/C10H16ClF2N/c1-7-4-14(6-9(7)11)5-8-2-10(12,13)3-8/h7-9H,2-6H2,1H3
InChIKeyWQQGLFFEDLTDEK-UHFFFAOYSA-N
MW223.69 g/mol
LogP2.59
Rot. Bonds2

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

3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine (PubChem CID 130769976) has the molecular formula C10H16ClF2N and a molecular weight of 223.69 g/mol. Its IUPAC name is 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine.

Molecular Properties

Compound Name3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine
PubChem CID130769976
Molecular FormulaC10H16ClF2N
Molecular Weight223.69 g/mol
Exact Mass223.09
IUPAC Name3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine
SMILESCC1CN(CC2CC(F)(F)C2)CC1Cl
InChIInChI=1S/C10H16ClF2N/c1-7-4-14(6-9(7)11)5-8-2-10(12,13)3-8/h7-9H,2-6H2,1H3
InChIKeyWQQGLFFEDLTDEK-UHFFFAOYSA-N
XLogP2.59
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.69
LogP ≤ 52.59
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-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine?
The IUPAC name of 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine (CID 130769976) is 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine.
What is the SMILES notation for 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine?
The canonical SMILES for 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine is CC1CN(CC2CC(F)(F)C2)CC1Cl.
What is the InChIKey of 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine?
The InChIKey is WQQGLFFEDLTDEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClF2N/c1-7-4-14(6-9(7)11)5-8-2-10(12,13)3-8/h7-9H,2-6H2,1H3.
What are the key properties of 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine?
3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine has a molecular weight of 223.69 g/mol, XLogP of 2.59, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidine is sourced from PubChem (CID 130769976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).