3-bromo-3-chloro-1,1,1-trifluoropropane

C3H3BrClF3 — CID 18356503

IUPAC3-bromo-3-chloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CC(Cl)Br
InChIInChI=1S/C3H3BrClF3/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyHHORFCCGNBAAOU-UHFFFAOYSA-N
MW211.41 g/mol
LogP2.90
Rot. Bonds1

About 3-bromo-3-chloro-1,1,1-trifluoropropane

3-bromo-3-chloro-1,1,1-trifluoropropane (PubChem CID 18356503) has the molecular formula C3H3BrClF3 and a molecular weight of 211.41 g/mol. Its IUPAC name is 3-bromo-3-chloro-1,1,1-trifluoropropane.

Molecular Properties

Compound Name3-bromo-3-chloro-1,1,1-trifluoropropane
PubChem CID18356503
Molecular FormulaC3H3BrClF3
Molecular Weight211.41 g/mol
Exact Mass209.91
IUPAC Name3-bromo-3-chloro-1,1,1-trifluoropropane
SMILESFC(F)(F)CC(Cl)Br
InChIInChI=1S/C3H3BrClF3/c4-2(5)1-3(6,7)8/h2H,1H2
InChIKeyHHORFCCGNBAAOU-UHFFFAOYSA-N
XLogP2.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.41
LogP ≤ 52.90
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-3-chloro-1,1,1-trifluoropropane?
The IUPAC name of 3-bromo-3-chloro-1,1,1-trifluoropropane (CID 18356503) is 3-bromo-3-chloro-1,1,1-trifluoropropane.
What is the SMILES notation for 3-bromo-3-chloro-1,1,1-trifluoropropane?
The canonical SMILES for 3-bromo-3-chloro-1,1,1-trifluoropropane is FC(F)(F)CC(Cl)Br.
What is the InChIKey of 3-bromo-3-chloro-1,1,1-trifluoropropane?
The InChIKey is HHORFCCGNBAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3BrClF3/c4-2(5)1-3(6,7)8/h2H,1H2.
What are the key properties of 3-bromo-3-chloro-1,1,1-trifluoropropane?
3-bromo-3-chloro-1,1,1-trifluoropropane has a molecular weight of 211.41 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-3-chloro-1,1,1-trifluoropropane is sourced from PubChem (CID 18356503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).