2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane

C10H11F9O — CID 139743782

IUPAC2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C1CCCO1
InChIInChI=1S/C10H11F9O/c11-7(12,3-4-8(13,14)15)10(18,19)9(16,17)6-2-1-5-20-6/h6H,1-5H2
InChIKeyXEXUTFHJYJNJOQ-UHFFFAOYSA-N
MW318.18 g/mol
LogP4.41
Rot. Bonds5

About 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane

2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane (PubChem CID 139743782) has the molecular formula C10H11F9O and a molecular weight of 318.18 g/mol. Its IUPAC name is 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane.

Molecular Properties

Compound Name2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
PubChem CID139743782
Molecular FormulaC10H11F9O
Molecular Weight318.18 g/mol
Exact Mass318.07
IUPAC Name2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane
SMILESFC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C1CCCO1
InChIInChI=1S/C10H11F9O/c11-7(12,3-4-8(13,14)15)10(18,19)9(16,17)6-2-1-5-20-6/h6H,1-5H2
InChIKeyXEXUTFHJYJNJOQ-UHFFFAOYSA-N
XLogP4.41
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.18
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-(1,1,2,2,3,3,4,4,5,5,5-undecafluoropentyl)oxolane
CID 19783535
1,1-difluoro-N,N-dimethyl-1-(oxolan-2-yl)methanamine
CID 57486602
2,2-difluoro-2-[(2S)-oxolan-2-yl]acetic acid
CID 99640388
2-[2-(oxolan-2-yl)heptan-2-yl]oxolane
CID 141391845
2-(20,20,20-trifluoroicosoxy)oxane;2-(20,20,20-trifluoroicosoxy)oxolane;2-(19,19,19-trifluorononadecoxy)oxane;2-(19,19,19-trifluorononadecoxy)oxolane;2-(18,18,18-trifluorooctadecoxy)oxane;2-(18,18,18-trifluorooctadecoxy)oxolane
CID 160655550
1,1,1,3,3,3-hexafluoro-2-(oxan-2-yl)propan-2-ol
CID 89068349
2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxane;2-(15,15,16,16,17,17,17-heptafluoroheptadecoxy)oxolane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxane;2-(14,14,15,15,16,16,16-heptafluorohexadecoxy)oxolane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxane;2-(13,13,14,14,15,15,15-heptafluoropentadecoxy)oxolane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxane;2-(12,12,13,13,14,14,14-heptafluorotetradecoxy)oxolane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxane;2-(11,11,12,12,13,13,13-heptafluorotridecoxy)oxolane
CID 159323383
2-[difluoro-[1,2,2,2-tetrafluoro-1-(fluoromethoxy)ethoxy]methyl]oxolane
CID 130284264
(2R)-2-[(2S)-oxolan-2-yl]butan-2-ol
CID 10012031
3,3,3-trifluoro-N-(oxan-2-ylmethyl)propan-1-amine
CID 63226004
6,6,6-trifluoro-1-(oxolan-2-yl)hexan-2-amine
CID 115516320
5,5,5-trifluoro-N-methyl-1-(oxolan-2-yl)pentan-2-amine
CID 64564943

Frequently Asked Questions

What is the IUPAC name of 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane?
The IUPAC name of 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane (CID 139743782) is 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane.
What is the SMILES notation for 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane?
The canonical SMILES for 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane is FC(F)(F)CCC(F)(F)C(F)(F)C(F)(F)C1CCCO1.
What is the InChIKey of 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane?
The InChIKey is XEXUTFHJYJNJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F9O/c11-7(12,3-4-8(13,14)15)10(18,19)9(16,17)6-2-1-5-20-6/h6H,1-5H2.
What are the key properties of 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane?
2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane has a molecular weight of 318.18 g/mol, XLogP of 4.41, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1,2,2,3,3,6,6,6-nonafluorohexyl)oxolane is sourced from PubChem (CID 139743782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).