1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane

C12H20F6O — CID 54564720

IUPAC1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane
SMILESCCCCCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-2-3-4-5-6-7-8-9-19-10(11(13,14)15)12(16,17)18/h10H,2-9H2,1H3
InChIKeyOGJCMGZGNNKDGS-UHFFFAOYSA-N
MW294.28 g/mol
LogP5.25
Rot. Bonds9

About 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane

1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane (PubChem CID 54564720) has the molecular formula C12H20F6O and a molecular weight of 294.28 g/mol. Its IUPAC name is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane.

Molecular Properties

Compound Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane
PubChem CID54564720
Molecular FormulaC12H20F6O
Molecular Weight294.28 g/mol
Exact Mass294.14
IUPAC Name1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane
SMILESCCCCCCCCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H20F6O/c1-2-3-4-5-6-7-8-9-19-10(11(13,14)15)12(16,17)18/h10H,2-9H2,1H3
InChIKeyOGJCMGZGNNKDGS-UHFFFAOYSA-N
XLogP5.25
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.28
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane?
The IUPAC name of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane (CID 54564720) is 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane.
What is the SMILES notation for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane?
The canonical SMILES for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane is CCCCCCCCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane?
The InChIKey is OGJCMGZGNNKDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F6O/c1-2-3-4-5-6-7-8-9-19-10(11(13,14)15)12(16,17)18/h10H,2-9H2,1H3.
What are the key properties of 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane?
1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane has a molecular weight of 294.28 g/mol, XLogP of 5.25, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)nonane is sourced from PubChem (CID 54564720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).