4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine

C11H19BrF3NO — CID 102745273

IUPAC4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CC(Br)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H19BrF3NO/c1-9(2)6-16(7-10(3,4)17-9)5-8(12)11(13,14)15/h8H,5-7H2,1-4H3
InChIKeySDNQPQGXYDSQSK-UHFFFAOYSA-N
MW318.18 g/mol
LogP3.20
Rot. Bonds2

About 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine

4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine (PubChem CID 102745273) has the molecular formula C11H19BrF3NO and a molecular weight of 318.18 g/mol. Its IUPAC name is 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine.

Molecular Properties

Compound Name4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine
PubChem CID102745273
Molecular FormulaC11H19BrF3NO
Molecular Weight318.18 g/mol
Exact Mass317.06
IUPAC Name4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine
SMILESCC1(C)CN(CC(Br)C(F)(F)F)CC(C)(C)O1
InChIInChI=1S/C11H19BrF3NO/c1-9(2)6-16(7-10(3,4)17-9)5-8(12)11(13,14)15/h8H,5-7H2,1-4H3
InChIKeySDNQPQGXYDSQSK-UHFFFAOYSA-N
XLogP3.20
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 53.20
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

3,3-dimethyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)butan-2-ol
CID 102745364
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
CID 107394421
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
1-cyclopropyl-2-(2,2,6,6-tetramethylmorpholin-4-yl)ethanol
CID 102745370
4-(2-bromo-3,3,3-trifluoropropyl)-2,6-dimethylthiomorpholine
CID 64759172
3-methyl-1-(2,2,6,6-tetramethylmorpholin-4-yl)pentan-2-amine
CID 102743395
4-(2-bromo-3,3,3-trifluoropropyl)-1,4-thiazinane 1-oxide
CID 64758744
methyl 2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanoate
CID 102744546
2,2-dimethyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propan-1-ol
CID 102745863
2-methyl-3-(2,2,6,6-tetramethylmorpholin-4-yl)propanehydrazide
CID 102746297
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine?
The IUPAC name of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine (CID 102745273) is 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine.
What is the SMILES notation for 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine?
The canonical SMILES for 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine is CC1(C)CN(CC(Br)C(F)(F)F)CC(C)(C)O1.
What is the InChIKey of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine?
The InChIKey is SDNQPQGXYDSQSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrF3NO/c1-9(2)6-16(7-10(3,4)17-9)5-8(12)11(13,14)15/h8H,5-7H2,1-4H3.
What are the key properties of 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine?
4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine has a molecular weight of 318.18 g/mol, XLogP of 3.20, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine is sourced from PubChem (CID 102745273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).