1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine

C10H17BrF3NO — CID 106588378

IUPAC1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-16-7-8-3-2-4-15(5-8)6-9(11)10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyAUWWXRILACHHOH-UHFFFAOYSA-N
MW304.15 g/mol
LogP2.67
Rot. Bonds4

About 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine

1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine (PubChem CID 106588378) 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-(methoxymethyl)piperidine.

Molecular Properties

Compound Name1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
PubChem CID106588378
Molecular FormulaC10H17BrF3NO
Molecular Weight304.15 g/mol
Exact Mass303.04
IUPAC Name1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
SMILESCOCC1CCCN(CC(Br)C(F)(F)F)C1
InChIInChI=1S/C10H17BrF3NO/c1-16-7-8-3-2-4-15(5-8)6-9(11)10(12,13)14/h8-9H,2-7H2,1H3
InChIKeyAUWWXRILACHHOH-UHFFFAOYSA-N
XLogP2.67
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.15
LogP ≤ 52.67
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

1,1,1-trifluoro-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 104567152
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
CID 64756949
1-cyclopentyl-3-[3-(methoxymethyl)piperidin-1-yl]propan-2-ol
CID 103274721
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]butane-1-thiol
CID 106590065
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]pentane-1-thiol
CID 106590062
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
CID 124508985
1-(3-bromopropyl)-3-(methoxymethyl)piperidine
CID 106588360
3,3,3-trifluoro-2-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]propanoic acid
CID 80995914
2-[[3-(methoxymethyl)piperidin-1-yl]methyl]-4-methylpentan-1-amine
CID 106587363

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine?
The IUPAC name of 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine (CID 106588378) is 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine.
What is the SMILES notation for 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine?
The canonical SMILES for 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine is COCC1CCCN(CC(Br)C(F)(F)F)C1.
What is the InChIKey of 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine?
The InChIKey is AUWWXRILACHHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3NO/c1-16-7-8-3-2-4-15(5-8)6-9(11)10(12,13)14/h8-9H,2-7H2,1H3.
What are the key properties of 1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine?
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine has a molecular weight of 304.15 g/mol, XLogP of 2.67, 4 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-(methoxymethyl)piperidine is sourced from PubChem (CID 106588378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).