1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine

C8H13BrF3N — CID 124508985

IUPAC1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
SMILESFC(F)(F)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKeyHUVNSMUEFJOGCP-SSDOTTSWSA-N
MW260.10 g/mol
LogP2.80
Rot. Bonds2

About 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine

1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine (PubChem CID 124508985) has the molecular formula C8H13BrF3N and a molecular weight of 260.10 g/mol. Its IUPAC name is 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine.

Molecular Properties

Compound Name1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
PubChem CID124508985
Molecular FormulaC8H13BrF3N
Molecular Weight260.10 g/mol
Exact Mass259.02
IUPAC Name1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine
SMILESFC(F)(F)[C@H](Br)CN1CCCCC1
InChIInChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1
InChIKeyHUVNSMUEFJOGCP-SSDOTTSWSA-N
XLogP2.80
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 52.80
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

1-(2-bromo-3,3,3-trifluoropropyl)-4-propan-2-ylazepane
CID 64759361
4-(2-bromo-3,3,3-trifluoropropyl)-1,4-thiazinane 1-oxide
CID 64758744
1-(2-bromo-3,3,3-trifluoropropyl)piperidin-3-ol
CID 64756949
3-(azocan-1-yl)-1,1,1-trifluoropropan-2-ol
CID 63901840
1-(2-bromo-3,3,3-trifluoropropyl)piperidine-3-carbonitrile
CID 164658014
1-(2-bromo-3,3,3-trifluoropropyl)-3-methoxy-3-methylpiperidine
CID 107394421
1-(2-bromo-3,3,3-trifluoropropyl)-3-(methoxymethyl)piperidine
CID 106588378
1-(2-bromo-3,3,3-trifluoropropyl)-4-(4-fluorophenyl)piperazine
CID 64758736
[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]methanol
CID 112628033
4-(2-bromo-3,3,3-trifluoropropyl)-2,2,6,6-tetramethylmorpholine
CID 102745273
1-[1-(2-bromo-3,3,3-trifluoropropyl)pyrrolidin-3-yl]ethanol
CID 112628065
1,1,1-trifluoro-3-[4-(3,3,3-trifluoro-2-hydroxypropyl)-1,4-diazepan-1-yl]propan-2-ol
CID 2782952

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The IUPAC name of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine (CID 124508985) is 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine.
What is the SMILES notation for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The canonical SMILES for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine is FC(F)(F)[C@H](Br)CN1CCCCC1.
What is the InChIKey of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
The InChIKey is HUVNSMUEFJOGCP-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H13BrF3N/c9-7(8(10,11)12)6-13-4-2-1-3-5-13/h7H,1-6H2/t7-/m1/s1.
What are the key properties of 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine?
1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine has a molecular weight of 260.10 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-bromo-3,3,3-trifluoropropyl]piperidine is sourced from PubChem (CID 124508985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).