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

C6H7BrF6O — CID 58901270

IUPAC2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCCBr)C(F)(F)F
InChIInChI=1S/C6H7BrF6O/c7-2-1-3-14-4(5(8,9)10)6(11,12)13/h4H,1-3H2
InChIKeyVTJPWWZEAHDVND-UHFFFAOYSA-N
MW289.01 g/mol
LogP3.28
Rot. Bonds4

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

2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane (PubChem CID 58901270) has the molecular formula C6H7BrF6O and a molecular weight of 289.01 g/mol. Its IUPAC name is 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane.

Molecular Properties

Compound Name2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane
PubChem CID58901270
Molecular FormulaC6H7BrF6O
Molecular Weight289.01 g/mol
Exact Mass287.96
IUPAC Name2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane
SMILESFC(F)(F)C(OCCCBr)C(F)(F)F
InChIInChI=1S/C6H7BrF6O/c7-2-1-3-14-4(5(8,9)10)6(11,12)13/h4H,1-3H2
InChIKeyVTJPWWZEAHDVND-UHFFFAOYSA-N
XLogP3.28
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.01
LogP ≤ 53.28
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
3-(2-Bromoethoxy)-1,1,2,2-tetrafluoropropane
CID 29004764
2-(2-Bromoethoxy)-1,1-difluorocyclopropane
CID 122163985
2-(2-Bromoethoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59650117
3-(2-Bromoethoxy)-1,1,1,2,2-pentafluoropropane
CID 75525665
2-(2-Bromo-1,1,2-trifluoroethoxy)propane
CID 15921667
1-Bromo-3-(2,2,2-trifluoroethoxy)propane
CID 43135433
2-(3-Bromopropoxy)-1,1,1,2,3,3,3-heptafluoropropane
CID 59689354
2-(3-Bromopropoxy)-1,1,1-trifluoropropane
CID 66275232
1-Bromo-4-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)butane
CID 102722024
2-(2-Bromo-1,1,2-trifluoroethoxy)butane
CID 139683186
1-(2-Bromoethoxy)-1,1,2,2,3,3,4,4,4-nonafluorobutane
CID 151148587

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane?
The IUPAC name of 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane (CID 58901270) is 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane.
What is the SMILES notation for 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane?
The canonical SMILES for 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane is FC(F)(F)C(OCCCBr)C(F)(F)F.
What is the InChIKey of 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane?
The InChIKey is VTJPWWZEAHDVND-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrF6O/c7-2-1-3-14-4(5(8,9)10)6(11,12)13/h4H,1-3H2.
What are the key properties of 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane?
2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane has a molecular weight of 289.01 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromopropoxy)-1,1,1,3,3,3-hexafluoropropane is sourced from PubChem (CID 58901270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).