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

C12H15ClF6O — CID 102723538

IUPAC3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
SMILESFC(F)(F)C(OC1CC(Cl)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H15ClF6O/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
InChIKeyLXFDETCAWUHTLF-UHFFFAOYSA-N
MW324.69 g/mol
LogP4.83
Rot. Bonds2

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

3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane (PubChem CID 102723538) has the molecular formula C12H15ClF6O and a molecular weight of 324.69 g/mol. Its IUPAC name is 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane.

Molecular Properties

Compound Name3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
PubChem CID102723538
Molecular FormulaC12H15ClF6O
Molecular Weight324.69 g/mol
Exact Mass324.07
IUPAC Name3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
SMILESFC(F)(F)C(OC1CC(Cl)C12CCCCC2)C(F)(F)F
InChIInChI=1S/C12H15ClF6O/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
InChIKeyLXFDETCAWUHTLF-UHFFFAOYSA-N
XLogP4.83
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.69
LogP ≤ 54.83
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-bromo-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane
CID 102723537
3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.4]octan-1-ol
CID 102723534
3-chloro-1-pentan-2-yloxyspiro[3.5]nonane
CID 102988681
3-chloro-1-cycloheptyloxyspiro[3.6]decane
CID 66345621
3-chloro-1-(2,2-difluoroethoxy)spiro[3.4]octane
CID 82009453
3-chloro-1-[4-(trifluoromethyl)phenoxy]spiro[3.4]octane
CID 66343448
3-chloro-1-octan-2-yloxyspiro[3.4]octane
CID 66343644
N-methyl-3-(1,1,1-trifluoropropan-2-yloxy)spiro[3.6]decan-1-amine
CID 66351620
1-(4-tert-butylphenoxy)-3-chlorospiro[3.5]nonane
CID 66345050
3-chloro-1-(2-methoxyethoxy)spiro[3.4]octane
CID 66346140
3-chloro-1-(4-methoxyphenoxy)spiro[3.5]nonane
CID 66346319
3-chloro-1-(4-iodophenoxy)spiro[3.5]nonane
CID 66343866

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The IUPAC name of 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane (CID 102723538) is 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane.
What is the SMILES notation for 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The canonical SMILES for 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane is FC(F)(F)C(OC1CC(Cl)C12CCCCC2)C(F)(F)F.
What is the InChIKey of 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
The InChIKey is LXFDETCAWUHTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF6O/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-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane?
3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane has a molecular weight of 324.69 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)spiro[3.5]nonane is sourced from PubChem (CID 102723538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).