6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine

C14H18BrF2NO — CID 114780679

IUPAC6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cccc(F)c2F)CC(CBr)O1
InChIInChI=1S/C14H18BrF2NO/c1-14(2)9-18(8-11(6-15)19-14)7-10-4-3-5-12(16)13(10)17/h3-5,11H,6-9H2,1-2H3
InChIKeyYSBHOLARNKFXIA-UHFFFAOYSA-N
MW334.20 g/mol
LogP3.34
Rot. Bonds3

About 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine

6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine (PubChem CID 114780679) has the molecular formula C14H18BrF2NO and a molecular weight of 334.20 g/mol. Its IUPAC name is 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine.

Molecular Properties

Compound Name6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
PubChem CID114780679
Molecular FormulaC14H18BrF2NO
Molecular Weight334.20 g/mol
Exact Mass333.05
IUPAC Name6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine
SMILESCC1(C)CN(Cc2cccc(F)c2F)CC(CBr)O1
InChIInChI=1S/C14H18BrF2NO/c1-14(2)9-18(8-11(6-15)19-14)7-10-4-3-5-12(16)13(10)17/h3-5,11H,6-9H2,1-2H3
InChIKeyYSBHOLARNKFXIA-UHFFFAOYSA-N
XLogP3.34
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.20
LogP ≤ 53.34
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

(6R)-4-benzyl-6-(bromomethyl)-2,2-dimethylmorpholine
CID 154725513
4-[(3-bromo-5-fluorophenyl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780762
1-[6-(bromomethyl)-2,2-dimethylmorpholin-4-yl]-2-(2-fluorophenyl)ethanone
CID 114781549
6-(bromomethyl)-4-[(5-chlorothiophen-2-yl)methyl]-2,2-dimethylmorpholine
CID 114780699
[4-[(2,5-difluorophenyl)methyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114779730
1-[(2,3-difluorophenyl)methyl]-3,5-dimethylpiperazine;hydrochloride
CID 119924222
4-[(5-bromo-2,3-dihydro-1-benzofuran-7-yl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780732
6-(bromomethyl)-2,2-dimethyl-4-pentylmorpholine
CID 114780737
6-(bromomethyl)-2,2-dimethyl-4-(2-thiophen-3-ylethyl)morpholine
CID 114780725
6-(bromomethyl)-4-[2-(4-bromophenoxy)ethyl]-2,2-dimethylmorpholine
CID 114780794
4-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-6-(bromomethyl)-2,2-dimethylmorpholine
CID 114780668
(6R)-4-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-6-(methoxymethyl)-2,2-dimethylmorpholine
CID 129483204

Frequently Asked Questions

What is the IUPAC name of 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine?
The IUPAC name of 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine (CID 114780679) is 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine.
What is the SMILES notation for 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine?
The canonical SMILES for 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine is CC1(C)CN(Cc2cccc(F)c2F)CC(CBr)O1.
What is the InChIKey of 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine?
The InChIKey is YSBHOLARNKFXIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2NO/c1-14(2)9-18(8-11(6-15)19-14)7-10-4-3-5-12(16)13(10)17/h3-5,11H,6-9H2,1-2H3.
What are the key properties of 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine?
6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine has a molecular weight of 334.20 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(bromomethyl)-4-[(2,3-difluorophenyl)methyl]-2,2-dimethylmorpholine is sourced from PubChem (CID 114780679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).