3-bromo-1,1,1,3-tetrafluoropropane

C3H3BrF4 — CID 23235109

IUPAC3-bromo-1,1,1,3-tetrafluoropropane
SMILESFC(Br)CC(F)(F)F
InChIInChI=1S/C3H3BrF4/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyBVMTUIGOAGPZCK-UHFFFAOYSA-N
MW194.95 g/mol
LogP2.63
Rot. Bonds1

About 3-bromo-1,1,1,3-tetrafluoropropane

3-bromo-1,1,1,3-tetrafluoropropane (PubChem CID 23235109) has the molecular formula C3H3BrF4 and a molecular weight of 194.95 g/mol. Its IUPAC name is 3-bromo-1,1,1,3-tetrafluoropropane.

Molecular Properties

Compound Name3-bromo-1,1,1,3-tetrafluoropropane
PubChem CID23235109
Molecular FormulaC3H3BrF4
Molecular Weight194.95 g/mol
Exact Mass193.94
IUPAC Name3-bromo-1,1,1,3-tetrafluoropropane
SMILESFC(Br)CC(F)(F)F
InChIInChI=1S/C3H3BrF4/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyBVMTUIGOAGPZCK-UHFFFAOYSA-N
XLogP2.63
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.95
LogP ≤ 52.63
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 3-bromo-1,1,1,3-tetrafluoropropane?
The IUPAC name of 3-bromo-1,1,1,3-tetrafluoropropane (CID 23235109) is 3-bromo-1,1,1,3-tetrafluoropropane.
What is the SMILES notation for 3-bromo-1,1,1,3-tetrafluoropropane?
The canonical SMILES for 3-bromo-1,1,1,3-tetrafluoropropane is FC(Br)CC(F)(F)F.
What is the InChIKey of 3-bromo-1,1,1,3-tetrafluoropropane?
The InChIKey is BVMTUIGOAGPZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrF4/c4-2(5)1-3(6,7)8/h2H,1H2.
What are the key properties of 3-bromo-1,1,1,3-tetrafluoropropane?
3-bromo-1,1,1,3-tetrafluoropropane has a molecular weight of 194.95 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1,1,1,3-tetrafluoropropane is sourced from PubChem (CID 23235109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).