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

C12H14BrF2NO — CID 114934235

IUPAC3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
SMILESFc1cccc(F)c1CN1CCOCC1CBr
InChIInChI=1S/C12H14BrF2NO/c13-6-9-8-17-5-4-16(9)7-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2
InChIKeyWSKLANGIKFAXLT-UHFFFAOYSA-N
MW306.15 g/mol
LogP2.56
Rot. Bonds3

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

3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine (PubChem CID 114934235) has the molecular formula C12H14BrF2NO and a molecular weight of 306.15 g/mol. Its IUPAC name is 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine.

Molecular Properties

Compound Name3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
PubChem CID114934235
Molecular FormulaC12H14BrF2NO
Molecular Weight306.15 g/mol
Exact Mass305.02
IUPAC Name3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine
SMILESFc1cccc(F)c1CN1CCOCC1CBr
InChIInChI=1S/C12H14BrF2NO/c13-6-9-8-17-5-4-16(9)7-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2
InChIKeyWSKLANGIKFAXLT-UHFFFAOYSA-N
XLogP2.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.15
LogP ≤ 52.56
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-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]ethanamine
CID 83099905
[3-(bromomethyl)morpholin-4-yl]-(2-fluoro-6-hydroxyphenyl)methanone
CID 107017010
[3-[(3-ethylmorpholin-4-yl)methyl]-4-fluoro-1-benzothiophen-2-yl]methanamine
CID 62432050
N-[[4-[(2-bromo-3-fluorophenyl)methyl]morpholin-3-yl]methyl]propan-2-amine
CID 83100350
4-[(4-bromo-2-fluorophenyl)methyl]-3-ethylmorpholine
CID 54971347
N-[[4-[(2,3-difluorophenyl)methyl]morpholin-3-yl]methyl]propan-1-amine
CID 83099915
4-[(2-amino-6-fluorophenyl)methyl]-N-methylmorpholine-3-carboxamide
CID 83106086
(2R)-1-[(2,6-difluorophenyl)methyl]-2-ethylpiperidine
CID 870763
[4-[(3-chloro-2-fluorophenyl)methyl]morpholin-3-yl]methanol
CID 102858362
4-[(5-chloro-2-fluorophenyl)methyl]-3-(chloromethyl)morpholine
CID 103050076
[4-[(4-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 18933378

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine?
The IUPAC name of 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine (CID 114934235) is 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine.
What is the SMILES notation for 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine?
The canonical SMILES for 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine is Fc1cccc(F)c1CN1CCOCC1CBr.
What is the InChIKey of 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine?
The InChIKey is WSKLANGIKFAXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrF2NO/c13-6-9-8-17-5-4-16(9)7-10-11(14)2-1-3-12(10)15/h1-3,9H,4-8H2.
What are the key properties of 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine?
3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine has a molecular weight of 306.15 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-4-[(2,6-difluorophenyl)methyl]morpholine is sourced from PubChem (CID 114934235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).