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

C5H2F10O — CID 14643988

IUPAC1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESOC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15/h1,16H
InChIKeyRBKISQSGSUGQDK-UHFFFAOYSA-N
MW268.05 g/mol
LogP2.74
Rot. Bonds2

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

1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (PubChem CID 14643988) has the molecular formula C5H2F10O and a molecular weight of 268.05 g/mol. Its IUPAC name is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.

Molecular Properties

Compound Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
PubChem CID14643988
Molecular FormulaC5H2F10O
Molecular Weight268.05 g/mol
Exact Mass267.99
IUPAC Name1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol
SMILESOC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H2F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15/h1,16H
InChIKeyRBKISQSGSUGQDK-UHFFFAOYSA-N
XLogP2.74
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.05
LogP ≤ 52.74
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 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The IUPAC name of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol (CID 14643988) is 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol.
What is the SMILES notation for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The canonical SMILES for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is OC(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
The InChIKey is RBKISQSGSUGQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H2F10O/c6-2(7,4(10,11)12)1(16)3(8,9)5(13,14)15/h1,16H.
What are the key properties of 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol?
1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol has a molecular weight of 268.05 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2,2,4,4,5,5,5-decafluoropentan-3-ol is sourced from PubChem (CID 14643988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).