3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine

C10H17BrF3N — CID 115518477

IUPAC3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCN1CCCC(CBr)C1
InChIInChI=1S/C10H17BrF3N/c11-7-9-3-1-5-15(8-9)6-2-4-10(12,13)14/h9H,1-8H2
InChIKeyULNSWXRZOHLAQJ-UHFFFAOYSA-N
MW288.15 g/mol
LogP3.44
Rot. Bonds4

About 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine

3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine (PubChem CID 115518477) has the molecular formula C10H17BrF3N and a molecular weight of 288.15 g/mol. Its IUPAC name is 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine.

Molecular Properties

Compound Name3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
PubChem CID115518477
Molecular FormulaC10H17BrF3N
Molecular Weight288.15 g/mol
Exact Mass287.05
IUPAC Name3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine
SMILESFC(F)(F)CCCN1CCCC(CBr)C1
InChIInChI=1S/C10H17BrF3N/c11-7-9-3-1-5-15(8-9)6-2-4-10(12,13)14/h9H,1-8H2
InChIKeyULNSWXRZOHLAQJ-UHFFFAOYSA-N
XLogP3.44
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.15
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-(2-chloroethyl)-1-(4,4,4-trifluorobutyl)piperidine
CID 115518381
3-(bromomethyl)-1-pentylpiperidine
CID 80679758
N-[[1-(4,4,4-trifluorobutyl)piperidin-3-yl]methyl]cyclopropanecarboxamide
CID 131929382
1-(4,4,4-trifluorobutyl)piperidine-3-carbonitrile
CID 115513923
3-(2-bromoethyl)-1-[3-(2,2,2-trifluoroethoxy)propyl]piperidine
CID 80690484
1-[1-(4,4,4-trifluorobutyl)piperidin-3-yl]ethanamine
CID 115512948
(3R)-3-(bromomethyl)-1-(trifluoromethyl)piperidine
CID 97168583
3-(bromomethyl)-1-(3,3-dimethylbutyl)pyrrolidine
CID 80690905
3-(2-bromoethyl)-1-(3,3,3-trifluoropropyl)pyrrolidine
CID 114800427
[(3S)-1-(3,3,3-trifluoropropyl)piperidin-3-yl]azanide
CID 159332377
3-methyl-1-(3,3,3-trifluoropropyl)piperidine
CID 77147847
[1-(3-fluoropropyl)piperidin-3-yl]methanamine
CID 81107283

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine?
The IUPAC name of 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine (CID 115518477) is 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine.
What is the SMILES notation for 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine?
The canonical SMILES for 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine is FC(F)(F)CCCN1CCCC(CBr)C1.
What is the InChIKey of 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine?
The InChIKey is ULNSWXRZOHLAQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrF3N/c11-7-9-3-1-5-15(8-9)6-2-4-10(12,13)14/h9H,1-8H2.
What are the key properties of 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine?
3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine has a molecular weight of 288.15 g/mol, XLogP of 3.44, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-1-(4,4,4-trifluorobutyl)piperidine is sourced from PubChem (CID 115518477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).