2-(2-bromoethoxy)-1,1,1-trifluoropropane

C5H8BrF3O — CID 66276321

IUPAC2-(2-bromoethoxy)-1,1,1-trifluoropropane
SMILESCC(OCCBr)C(F)(F)F
InChIInChI=1S/C5H8BrF3O/c1-4(5(7,8)9)10-3-2-6/h4H,2-3H2,1H3
InChIKeyPKTPBPNKIDOPHL-UHFFFAOYSA-N
MW221.02 g/mol
LogP2.35
Rot. Bonds3

About 2-(2-bromoethoxy)-1,1,1-trifluoropropane

2-(2-bromoethoxy)-1,1,1-trifluoropropane (PubChem CID 66276321) has the molecular formula C5H8BrF3O and a molecular weight of 221.02 g/mol. Its IUPAC name is 2-(2-bromoethoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-(2-bromoethoxy)-1,1,1-trifluoropropane
PubChem CID66276321
Molecular FormulaC5H8BrF3O
Molecular Weight221.02 g/mol
Exact Mass219.97
IUPAC Name2-(2-bromoethoxy)-1,1,1-trifluoropropane
SMILESCC(OCCBr)C(F)(F)F
InChIInChI=1S/C5H8BrF3O/c1-4(5(7,8)9)10-3-2-6/h4H,2-3H2,1H3
InChIKeyPKTPBPNKIDOPHL-UHFFFAOYSA-N
XLogP2.35
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.02
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 2-(2-bromoethoxy)-1,1,1-trifluoropropane?
The IUPAC name of 2-(2-bromoethoxy)-1,1,1-trifluoropropane (CID 66276321) is 2-(2-bromoethoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 2-(2-bromoethoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 2-(2-bromoethoxy)-1,1,1-trifluoropropane is CC(OCCBr)C(F)(F)F.
What is the InChIKey of 2-(2-bromoethoxy)-1,1,1-trifluoropropane?
The InChIKey is PKTPBPNKIDOPHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8BrF3O/c1-4(5(7,8)9)10-3-2-6/h4H,2-3H2,1H3.
What are the key properties of 2-(2-bromoethoxy)-1,1,1-trifluoropropane?
2-(2-bromoethoxy)-1,1,1-trifluoropropane has a molecular weight of 221.02 g/mol, XLogP of 2.35, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 66276321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).