1-bromo-10-(2-fluoropropan-2-yloxy)decane

C13H26BrFO — CID 143257626

IUPAC1-bromo-10-(2-fluoropropan-2-yloxy)decane
SMILESCC(C)(F)OCCCCCCCCCCBr
InChIInChI=1S/C13H26BrFO/c1-13(2,15)16-12-10-8-6-4-3-5-7-9-11-14/h3-12H2,1-2H3
InChIKeyCNKXUPFLXPWGOE-UHFFFAOYSA-N
MW297.25 g/mol
LogP5.22
Rot. Bonds11

About 1-bromo-10-(2-fluoropropan-2-yloxy)decane

1-bromo-10-(2-fluoropropan-2-yloxy)decane (PubChem CID 143257626) has the molecular formula C13H26BrFO and a molecular weight of 297.25 g/mol. Its IUPAC name is 1-bromo-10-(2-fluoropropan-2-yloxy)decane.

Molecular Properties

Compound Name1-bromo-10-(2-fluoropropan-2-yloxy)decane
PubChem CID143257626
Molecular FormulaC13H26BrFO
Molecular Weight297.25 g/mol
Exact Mass296.12
IUPAC Name1-bromo-10-(2-fluoropropan-2-yloxy)decane
SMILESCC(C)(F)OCCCCCCCCCCBr
InChIInChI=1S/C13H26BrFO/c1-13(2,15)16-12-10-8-6-4-3-5-7-9-11-14/h3-12H2,1-2H3
InChIKeyCNKXUPFLXPWGOE-UHFFFAOYSA-N
XLogP5.22
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500297.25
LogP ≤ 55.22
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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Frequently Asked Questions

What is the IUPAC name of 1-bromo-10-(2-fluoropropan-2-yloxy)decane?
The IUPAC name of 1-bromo-10-(2-fluoropropan-2-yloxy)decane (CID 143257626) is 1-bromo-10-(2-fluoropropan-2-yloxy)decane.
What is the SMILES notation for 1-bromo-10-(2-fluoropropan-2-yloxy)decane?
The canonical SMILES for 1-bromo-10-(2-fluoropropan-2-yloxy)decane is CC(C)(F)OCCCCCCCCCCBr.
What is the InChIKey of 1-bromo-10-(2-fluoropropan-2-yloxy)decane?
The InChIKey is CNKXUPFLXPWGOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrFO/c1-13(2,15)16-12-10-8-6-4-3-5-7-9-11-14/h3-12H2,1-2H3.
What are the key properties of 1-bromo-10-(2-fluoropropan-2-yloxy)decane?
1-bromo-10-(2-fluoropropan-2-yloxy)decane has a molecular weight of 297.25 g/mol, XLogP of 5.22, 11 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-10-(2-fluoropropan-2-yloxy)decane is sourced from PubChem (CID 143257626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).