(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane

C3HBrF6 — CID 95036254

IUPAC(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
SMILESF[C@@H](C(F)(F)F)C(F)(F)Br
InChIInChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H/t1-/m1/s1
InChIKeyUBSZSCBAJXCXOO-PVQJCKRUSA-N
MW230.93 g/mol
LogP2.87
Rot. Bonds1

About (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane

(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane (PubChem CID 95036254) has the molecular formula C3HBrF6 and a molecular weight of 230.93 g/mol. Its IUPAC name is (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
PubChem CID95036254
Molecular FormulaC3HBrF6
Molecular Weight230.93 g/mol
Exact Mass229.92
IUPAC Name(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane
SMILESF[C@@H](C(F)(F)F)C(F)(F)Br
InChIInChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H/t1-/m1/s1
InChIKeyUBSZSCBAJXCXOO-PVQJCKRUSA-N
XLogP2.87
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.93
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane?
The IUPAC name of (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane (CID 95036254) is (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane.
What is the SMILES notation for (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane?
The canonical SMILES for (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane is F[C@@H](C(F)(F)F)C(F)(F)Br.
What is the InChIKey of (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane?
The InChIKey is UBSZSCBAJXCXOO-PVQJCKRUSA-N. The full InChI is InChI=1S/C3HBrF6/c4-2(6,7)1(5)3(8,9)10/h1H/t1-/m1/s1.
What are the key properties of (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane?
(2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane has a molecular weight of 230.93 g/mol, XLogP of 2.87, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-bromo-1,1,2,3,3,3-hexafluoropropane is sourced from PubChem (CID 95036254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).