3-bromo-1,1,1,2,3-pentafluoropropane

C3H2BrF5 — CID 101059408

IUPAC3-bromo-1,1,1,2,3-pentafluoropropane
SMILESFC(Br)C(F)C(F)(F)F
InChIInChI=1S/C3H2BrF5/c4-2(6)1(5)3(7,8)9/h1-2H
InChIKeyZOWYMNIEBMVKIO-UHFFFAOYSA-N
MW212.94 g/mol
LogP2.58
Rot. Bonds1

About 3-bromo-1,1,1,2,3-pentafluoropropane

3-bromo-1,1,1,2,3-pentafluoropropane (PubChem CID 101059408) has the molecular formula C3H2BrF5 and a molecular weight of 212.94 g/mol. Its IUPAC name is 3-bromo-1,1,1,2,3-pentafluoropropane.

Molecular Properties

Compound Name3-bromo-1,1,1,2,3-pentafluoropropane
PubChem CID101059408
Molecular FormulaC3H2BrF5
Molecular Weight212.94 g/mol
Exact Mass211.93
IUPAC Name3-bromo-1,1,1,2,3-pentafluoropropane
SMILESFC(Br)C(F)C(F)(F)F
InChIInChI=1S/C3H2BrF5/c4-2(6)1(5)3(7,8)9/h1-2H
InChIKeyZOWYMNIEBMVKIO-UHFFFAOYSA-N
XLogP2.58
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.94
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(2S,3S)-2,3-dibromo-1,1,1,3-tetrafluoropropane
CID 97291114
1,2,3,3,3-pentafluoropropan-1-ol
CID 23510551
(2S,3S)-2,3-dibromo-1,1,1,4,4,4-hexafluorobutane
CID 97291901
2-(difluoromethyl)-1,1,1,3,4,5,5,5-octafluoropentane
CID 15044582
1,1,1,2,4,5,5,5-octafluoro-3-methoxypentane
CID 54351271
1,1,1,2,4,4,4-heptafluoro-3-methoxybutane
CID 57200862
1,1,1,2,3,4,5,5,5-nonafluoro-2-methylpentane
CID 86215913
1,1,1,2,2-pentafluoroethane iodide
CID 157061199
1,1,2-tribromo-1,3,3,3-tetrafluoropropane
CID 165362109
1,1,1,2,3-pentabromo-3-fluoropropane
CID 165362120
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
CID 95036254
lithium;1-bromo-2,2,2-trifluoroethanol;hydride
CID 175003537

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1,1,1,2,3-pentafluoropropane?
The IUPAC name of 3-bromo-1,1,1,2,3-pentafluoropropane (CID 101059408) is 3-bromo-1,1,1,2,3-pentafluoropropane.
What is the SMILES notation for 3-bromo-1,1,1,2,3-pentafluoropropane?
The canonical SMILES for 3-bromo-1,1,1,2,3-pentafluoropropane is FC(Br)C(F)C(F)(F)F.
What is the InChIKey of 3-bromo-1,1,1,2,3-pentafluoropropane?
The InChIKey is ZOWYMNIEBMVKIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BrF5/c4-2(6)1(5)3(7,8)9/h1-2H.
What are the key properties of 3-bromo-1,1,1,2,3-pentafluoropropane?
3-bromo-1,1,1,2,3-pentafluoropropane has a molecular weight of 212.94 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,1,2,3-pentafluoropropane is sourced from PubChem (CID 101059408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).