3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane

C12H15BrF6O — CID 102723537

IUPAC3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
SMILESFC(F)(F)C(OC1CC(Br)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H15BrF6O/c13-7-6-8(10(7)4-2-1-3-5-10)20-9(11(14,15)16)12(17,18)19/h7-9H,1-6H2
InChIKeyPJQWLGIAXHVERH-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.98
Rot. Bonds2

About 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane

3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane (PubChem CID 102723537) has the molecular formula C12H15BrF6O and a molecular weight of 369.14 g/mol. Its IUPAC name is 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
PubChem CID102723537
Molecular FormulaC12H15BrF6O
Molecular Weight369.14 g/mol
Exact Mass368.02
IUPAC Name3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
SMILESFC(F)(F)C(OC1CC(Br)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H15BrF6O/c13-7-6-8(10(7)4-2-1-3-5-10)20-9(11(14,15)16)12(17,18)19/h7-9H,1-6H2
InChIKeyPJQWLGIAXHVERH-UHFFFAOYSA-N
XLogP4.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 54.98
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

3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723538
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
CID 102723534
3-bromo-1-(2,2,2-trifluoroethoxy)spiro[3.6]decane
CID 66345296
3-bromo-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988701
3-bromo-1-(4,4,4-trifluorobutoxy)spiro[3.5]nonane
CID 82795387
3-bromo-1-(3,3,3-trifluoropropoxy)spiro[3.4]octane
CID 82956875
3-bromo-1-(2-methylbutan-2-yloxy)spiro[3.5]nonane
CID 66346170
3-bromo-1-(2-methylpropoxy)spiro[3.4]octane
CID 66346348
3-bromo-1-ethoxyspiro[3.4]octane
CID 66346132
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620
3-bromo-1-(4-butan-2-ylphenoxy)spiro[3.5]nonane
CID 107669392
3-bromo-1-(3-fluorophenoxy)spiro[3.5]nonane
CID 66345275

Frequently Asked Questions

What is the IUPAC name of 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The IUPAC name of 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane (CID 102723537) is 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane.
What is the SMILES notation for 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The canonical SMILES for 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane is FC(F)(F)C(OC1CC(Br)C12CCCCC2)C(F)(F)F.
What is the InChIKey of 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The InChIKey is PJQWLGIAXHVERH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF6O/c13-7-6-8(10(7)4-2-1-3-5-10)20-9(11(14,15)16)12(17,18)19/h7-9H,1-6H2.
What are the key properties of 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane has a molecular weight of 369.14 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane is sourced from PubChem (CID 102723537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).