2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine

C9H17BrFN — CID 102785354

IUPAC2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESCC1CCN(CCCF)C1CBr
InChIInChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyXLCRIVVYJPMHPN-UHFFFAOYSA-N
MW238.14 g/mol
LogP2.45
Rot. Bonds4

About 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine

2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine (PubChem CID 102785354) has the molecular formula C9H17BrFN and a molecular weight of 238.14 g/mol. Its IUPAC name is 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine.

Molecular Properties

Compound Name2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
PubChem CID102785354
Molecular FormulaC9H17BrFN
Molecular Weight238.14 g/mol
Exact Mass237.05
IUPAC Name2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine
SMILESCC1CCN(CCCF)C1CBr
InChIInChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3
InChIKeyXLCRIVVYJPMHPN-UHFFFAOYSA-N
XLogP2.45
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.14
LogP ≤ 52.45
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

2-(bromomethyl)-1-(2-fluoroethyl)-3-methylpyrrolidine
CID 102785685
2-(bromomethyl)-1-(2-cyclopropylethyl)-3-methylpyrrolidine
CID 102785677
2-(bromomethyl)-3-methyl-1-(4-phenylbutyl)pyrrolidine
CID 102785255
2-(bromomethyl)-3-methyl-1-[3-(oxolan-2-yl)propyl]pyrrolidine
CID 102785673
[1-(2-fluoroethyl)-3-methylpyrrolidin-2-yl]methanol
CID 102787851
2-(bromomethyl)-3-methyl-1-[2-(2-methylpropoxy)ethyl]pyrrolidine
CID 106457903
2-(bromomethyl)-1,3-dimethylpyrrolidine
CID 102785593
2-(bromomethyl)-3-methyl-1-(2-methylbutyl)pyrrolidine
CID 102785264
(1-decyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784470
(1-dodecyl-3-methylpyrrolidin-2-yl)methanamine
CID 102784984
3-bromo-1-(3-fluoropropyl)-4-methylpiperidine
CID 102960408
2-(bromomethyl)-1-[(2,6-dichlorophenyl)methyl]-3-methylpyrrolidine
CID 102785459

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The IUPAC name of 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine (CID 102785354) is 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine.
What is the SMILES notation for 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The canonical SMILES for 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine is CC1CCN(CCCF)C1CBr.
What is the InChIKey of 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
The InChIKey is XLCRIVVYJPMHPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFN/c1-8-3-6-12(5-2-4-11)9(8)7-10/h8-9H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine?
2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine has a molecular weight of 238.14 g/mol, XLogP of 2.45, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-1-(3-fluoropropyl)-3-methylpyrrolidine is sourced from PubChem (CID 102785354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).