2-(3-bromopropoxy)-1,1,1-trifluoropropane

C6H10BrF3O — CID 66275232

IUPAC2-(3-bromopropoxy)-1,1,1-trifluoropropane
SMILESCC(OCCCBr)C(F)(F)F
InChIInChI=1S/C6H10BrF3O/c1-5(6(8,9)10)11-4-2-3-7/h5H,2-4H2,1H3
InChIKeyZMUKBADFGKUSHH-UHFFFAOYSA-N
MW235.04 g/mol
LogP2.74
Rot. Bonds4

About 2-(3-bromopropoxy)-1,1,1-trifluoropropane

2-(3-bromopropoxy)-1,1,1-trifluoropropane (PubChem CID 66275232) has the molecular formula C6H10BrF3O and a molecular weight of 235.04 g/mol. Its IUPAC name is 2-(3-bromopropoxy)-1,1,1-trifluoropropane.

Molecular Properties

Compound Name2-(3-bromopropoxy)-1,1,1-trifluoropropane
PubChem CID66275232
Molecular FormulaC6H10BrF3O
Molecular Weight235.04 g/mol
Exact Mass233.99
IUPAC Name2-(3-bromopropoxy)-1,1,1-trifluoropropane
SMILESCC(OCCCBr)C(F)(F)F
InChIInChI=1S/C6H10BrF3O/c1-5(6(8,9)10)11-4-2-3-7/h5H,2-4H2,1H3
InChIKeyZMUKBADFGKUSHH-UHFFFAOYSA-N
XLogP2.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.04
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Bromo-4-[(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxy]butane
CID 53428088
1-Bromo-3-(propan-2-yloxy)propane
CID 12613777
1-Bromo-3-ethoxybutane
CID 12927224
1-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 134920416
1-Bromo-2,2-difluoro-3-methoxypropane
CID 138040027
1-(2-Bromo-1,1-difluoroethoxy)propane
CID 134920415
1-(2,2-Dibromo-1,1-difluoroethoxy)propane
CID 134922201
1-(Bromomethyl)propyl ethyl ether
CID 13704128
1-Bromo-2-ethoxypropane
CID 53905970
2-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 15921667
1-Bromo-1-fluoro-1-propan-2-yloxybutane
CID 22003101
1-Bromo-3-(2,2,2-trifluoroethoxy)propane
CID 43135433

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)-1,1,1-trifluoropropane?
The IUPAC name of 2-(3-bromopropoxy)-1,1,1-trifluoropropane (CID 66275232) is 2-(3-bromopropoxy)-1,1,1-trifluoropropane.
What is the SMILES notation for 2-(3-bromopropoxy)-1,1,1-trifluoropropane?
The canonical SMILES for 2-(3-bromopropoxy)-1,1,1-trifluoropropane is CC(OCCCBr)C(F)(F)F.
What is the InChIKey of 2-(3-bromopropoxy)-1,1,1-trifluoropropane?
The InChIKey is ZMUKBADFGKUSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10BrF3O/c1-5(6(8,9)10)11-4-2-3-7/h5H,2-4H2,1H3.
What are the key properties of 2-(3-bromopropoxy)-1,1,1-trifluoropropane?
2-(3-bromopropoxy)-1,1,1-trifluoropropane has a molecular weight of 235.04 g/mol, XLogP of 2.74, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)-1,1,1-trifluoropropane is sourced from PubChem (CID 66275232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).