1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol

C5HF11O — CID 22446654

IUPAC1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7,2(8,9)4(11,12)13)3(10,17)5(14,15)16/h17H
InChIKeyNVGHSRQBGQIMKR-UHFFFAOYSA-N
MW286.04 g/mol
LogP3.04
Rot. Bonds2

About 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol

1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol (PubChem CID 22446654) has the molecular formula C5HF11O and a molecular weight of 286.04 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol
PubChem CID22446654
Molecular FormulaC5HF11O
Molecular Weight286.04 g/mol
Exact Mass285.99
IUPAC Name1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5HF11O/c6-1(7,2(8,9)4(11,12)13)3(10,17)5(14,15)16/h17H
InChIKeyNVGHSRQBGQIMKR-UHFFFAOYSA-N
XLogP3.04
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.04
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol?
The IUPAC name of 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol (CID 22446654) is 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol is OC(F)(C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol?
The InChIKey is NVGHSRQBGQIMKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5HF11O/c6-1(7,2(8,9)4(11,12)13)3(10,17)5(14,15)16/h17H.
What are the key properties of 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol?
1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol has a molecular weight of 286.04 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,3,3,4,4,5,5,5-undecafluoropentan-2-ol is sourced from PubChem (CID 22446654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).