2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine

C9H17BrFNO — CID 102936891

IUPAC2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine
SMILESCC1CN(CCCF)CC(CBr)O1
InChIInChI=1S/C9H17BrFNO/c1-8-6-12(4-2-3-11)7-9(5-10)13-8/h8-9H,2-7H2,1H3
InChIKeyANFRUDRNOIQIMT-UHFFFAOYSA-N
MW254.14 g/mol
LogP1.83
Rot. Bonds4

About 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine

2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine (PubChem CID 102936891) has the molecular formula C9H17BrFNO and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine.

Molecular Properties

Compound Name2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine
PubChem CID102936891
Molecular FormulaC9H17BrFNO
Molecular Weight254.14 g/mol
Exact Mass253.05
IUPAC Name2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine
SMILESCC1CN(CCCF)CC(CBr)O1
InChIInChI=1S/C9H17BrFNO/c1-8-6-12(4-2-3-11)7-9(5-10)13-8/h8-9H,2-7H2,1H3
InChIKeyANFRUDRNOIQIMT-UHFFFAOYSA-N
XLogP1.83
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Ethyl-2,4-dimethylmorpholin-4-ium bromide
CID 13123890
4-(2-Bromoethyl)-2,6-dimethylmorpholine hydrobromide
CID 121553218
2-(Bromomethyl)-4-methylmorpholine hydrobromide
CID 132371414
4-(4-Bromobutyl)morpholine
CID 61287934
2-(Bromomethyl)-4-methylmorpholine
CID 70291410
4-(3-Bromo-2-fluoropropoxy)-1-methylpiperidine
CID 129290449
4-Ethyl-2-(2-fluoroethyl)morpholine
CID 147635917
2-(Fluoromethyl)-6-methyl-4-propylmorpholine
CID 177186718
(2S,6R)-4-ethyl-2-(fluoromethyl)-6-methylmorpholine
CID 177186779
4-(2-Bromoethyl)-2,6-dimethylmorpholine
CID 53417644
4-(2-Bromo-3,3,3-trifluoropropyl)-2,6-dimethylmorpholine
CID 64757332
4-(2-Bromo-3,3,3-trifluoropropyl)-2-methylmorpholine
CID 64757526

Frequently Asked Questions

What is the IUPAC name of 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine?
The IUPAC name of 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine (CID 102936891) is 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine.
What is the SMILES notation for 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine?
The canonical SMILES for 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine is CC1CN(CCCF)CC(CBr)O1.
What is the InChIKey of 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine?
The InChIKey is ANFRUDRNOIQIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17BrFNO/c1-8-6-12(4-2-3-11)7-9(5-10)13-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine?
2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine has a molecular weight of 254.14 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(bromomethyl)-4-(3-fluoropropyl)-6-methylmorpholine is sourced from PubChem (CID 102936891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).