1,1,3-tribromo-3-ethoxy-1-fluoropropane

C5H8Br3FO — CID 101028017

IUPAC1,1,3-tribromo-3-ethoxy-1-fluoropropane
SMILESCCOC(Br)CC(F)(Br)Br
InChIInChI=1S/C5H8Br3FO/c1-2-10-4(6)3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyFFPBDVOMABUSJT-UHFFFAOYSA-N
MW342.83 g/mol
LogP3.55
Rot. Bonds4

About 1,1,3-tribromo-3-ethoxy-1-fluoropropane

1,1,3-tribromo-3-ethoxy-1-fluoropropane (PubChem CID 101028017) has the molecular formula C5H8Br3FO and a molecular weight of 342.83 g/mol. Its IUPAC name is 1,1,3-tribromo-3-ethoxy-1-fluoropropane.

Molecular Properties

Compound Name1,1,3-tribromo-3-ethoxy-1-fluoropropane
PubChem CID101028017
Molecular FormulaC5H8Br3FO
Molecular Weight342.83 g/mol
Exact Mass339.81
IUPAC Name1,1,3-tribromo-3-ethoxy-1-fluoropropane
SMILESCCOC(Br)CC(F)(Br)Br
InChIInChI=1S/C5H8Br3FO/c1-2-10-4(6)3-5(7,8)9/h4H,2-3H2,1H3
InChIKeyFFPBDVOMABUSJT-UHFFFAOYSA-N
XLogP3.55
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.83
LogP ≤ 53.55
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-Bromo-3-ethoxypropane
CID 260493
1-Bromo-3-(3-bromopropoxy)propane
CID 11230705
1-(2-Bromoethoxy)-3-fluoropropane
CID 165994432
1-Bromo-2-fluoro-3-methoxypropane
CID 178200085
2,3-Dibromo-3-ethoxy-1,1,1-trifluoropropane
CID 10518283
1-(2,2-Dibromo-1,1-difluoroethoxy)propane
CID 134922201
1-Bromo-2-fluoro-3-methoxy-2-methylpropane
CID 162403320
1,2-Dibromo-3-ethoxypropane
CID 12430086
1,2-Dibromo-3-ethoxy-1,1-difluoropropane
CID 53993859
1-(1-Bromoethoxy)-2-fluorobutane
CID 89464118
(1S)-1-bromo-1-(2,2,2-trifluoroethoxy)propane
CID 135290113
1,3-Dibromo-1-methoxypropane
CID 14083729

Frequently Asked Questions

What is the IUPAC name of 1,1,3-tribromo-3-ethoxy-1-fluoropropane?
The IUPAC name of 1,1,3-tribromo-3-ethoxy-1-fluoropropane (CID 101028017) is 1,1,3-tribromo-3-ethoxy-1-fluoropropane.
What is the SMILES notation for 1,1,3-tribromo-3-ethoxy-1-fluoropropane?
The canonical SMILES for 1,1,3-tribromo-3-ethoxy-1-fluoropropane is CCOC(Br)CC(F)(Br)Br.
What is the InChIKey of 1,1,3-tribromo-3-ethoxy-1-fluoropropane?
The InChIKey is FFPBDVOMABUSJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br3FO/c1-2-10-4(6)3-5(7,8)9/h4H,2-3H2,1H3.
What are the key properties of 1,1,3-tribromo-3-ethoxy-1-fluoropropane?
1,1,3-tribromo-3-ethoxy-1-fluoropropane has a molecular weight of 342.83 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3-tribromo-3-ethoxy-1-fluoropropane is sourced from PubChem (CID 101028017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).