1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine

C10H17BrF3NO — CID 107394421

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-9(16-2)4-3-5-15(7-9)6-8(11)10(12,13)14/h8H,3-7H2,1-2H3
InChIKeyTYZDBWNCFWTPFR-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.81
Rot. Bonds3

About 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine

1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine (PubChem CID 107394421) has the molecular formula C10H17BrF3NO and a molecular weight of 304.15 g/mol. Its IUPAC name is 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
PubChem CID107394421
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
SMILESCOC1(C)CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-9(16-2)4-3-5-15(7-9)6-8(11)10(12,13)14/h8H,3-7H2,1-2H3
InChIKeyTYZDBWNCFWTPFR-UHFFFAOYSA-N
XLogP2.81
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.81
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

1-(3-methoxy-3-methylpiperidin-1-yl)-3-methylbutan-2-ol
CID 107394547
1-(2,2-diethoxyethyl)-3-methoxy-3-methylpiperidine
CID 107393619
1-(4-fluorophenyl)-2-(3-methoxy-3-methylpiperidin-1-yl)ethanamine
CID 107522247
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
5-(3-methoxy-3-methylpiperidin-1-yl)-4-methylpentan-1-amine
CID 107393262
2-(3-methoxy-3-methylpiperidin-1-yl)ethanethiol
CID 107396245
2-(3-methoxy-3-methylpiperidin-1-yl)acetonitrile
CID 107392603
1-(3-methoxy-3-methylpiperidin-1-yl)-N-propylpentan-2-amine
CID 107391840
1-(5-bromopentyl)-3-methoxy-3-methylpiperidine
CID 107394409
3-(3-methoxy-3-methylpiperidin-1-yl)-2,2-dimethylpropane-1-thiol
CID 107396246
3-(3-methoxy-3-methylpiperidin-1-yl)-2-(propan-2-ylamino)propanamide
CID 107394680
2-(3-methoxy-3-methylpiperidin-1-yl)-N-methylethanamine
CID 107391084

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine (CID 107394421) is 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine is COC1(C)CCCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine?
The InChIKey is TYZDBWNCFWTPFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-9(16-2)4-3-5-15(7-9)6-8(11)10(12,13)14/h8H,3-7H2,1-2H3.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine?
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine has a molecular weight of 304.15 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine is sourced from PubChem (CID 107394421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).