3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine

C11H18BrF2N — CID 130863713

IUPAC3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine
SMILESCC1C(CBr)CCN1CC1CC(F)(F)C1
InChIInChI=1S/C11H18BrF2N/c1-8-10(6-12)2-3-15(8)7-9-4-11(13,14)5-9/h8-10H,2-7H2,1H3
InChIKeyLBNDQSHKSUWLQF-UHFFFAOYSA-N
MW282.17 g/mol
LogP3.14
Rot. Bonds3

About 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine

3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine (PubChem CID 130863713) has the molecular formula C11H18BrF2N and a molecular weight of 282.17 g/mol. Its IUPAC name is 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine
PubChem CID130863713
Molecular FormulaC11H18BrF2N
Molecular Weight282.17 g/mol
Exact Mass281.06
IUPAC Name3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine
SMILESCC1C(CBr)CCN1CC1CC(F)(F)C1
InChIInChI=1S/C11H18BrF2N/c1-8-10(6-12)2-3-15(8)7-9-4-11(13,14)5-9/h8-10H,2-7H2,1H3
InChIKeyLBNDQSHKSUWLQF-UHFFFAOYSA-N
XLogP3.14
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.17
LogP ≤ 53.14
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-(bromomethyl)-1-(cyclohexylmethyl)-2-methylpyrrolidine
CID 130815735
3-(bromomethyl)-2-methyl-1-(oxan-2-ylmethyl)pyrrolidine
CID 130979350
3-(bromomethyl)-4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
CID 131166134
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpiperazine
CID 126759873
1-[(3,3-difluorocyclobutyl)methyl]-4-methoxypiperidine
CID 126793833
4-[[3-(bromomethyl)-2-methylpyrrolidin-1-yl]methyl]-1-methylpyrazole
CID 130948647
3-(bromomethyl)-2-methylpyrrolidine-1-carboxylic acid
CID 139490802
4-[(3,3-difluorocyclobutyl)methyl]thiomorpholine
CID 126793759
1-[(3,3-difluorocyclobutyl)methyl]-4-methylpyrrolidin-3-ol
CID 130909227
3-ethyl-1,1-difluorocyclobutane
CID 67229999
3-ethyl-1-(2-fluoroethyl)-2-methylpyrrolidine
CID 130875141
1-[(3,3-difluorocyclobutyl)methyl]-4-methylcyclohexane
CID 130469055

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine?
The IUPAC name of 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine (CID 130863713) is 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine.
What is the SMILES notation for 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine?
The canonical SMILES for 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine is CC1C(CBr)CCN1CC1CC(F)(F)C1.
What is the InChIKey of 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine?
The InChIKey is LBNDQSHKSUWLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrF2N/c1-8-10(6-12)2-3-15(8)7-9-4-11(13,14)5-9/h8-10H,2-7H2,1H3.
What are the key properties of 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine?
3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine has a molecular weight of 282.17 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-[(3,3-difluorocyclobutyl)methyl]-2-methylpyrrolidine is sourced from PubChem (CID 130863713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).