(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol

C5H5F7O — CID 6993807

IUPAC(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol
SMILESC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3/t2-/m1/s1
InChIKeyRBPHBIMHZSTIDT-UWTATZPHSA-N
MW214.08 g/mol
LogP2.20
Rot. Bonds2

About (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol

(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol (PubChem CID 6993807) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol.

Molecular Properties

Compound Name(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol
PubChem CID6993807
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol
SMILESC[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3/t2-/m1/s1
InChIKeyRBPHBIMHZSTIDT-UWTATZPHSA-N
XLogP2.20
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 52.20
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 (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol?
The IUPAC name of (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol (CID 6993807) is (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol.
What is the SMILES notation for (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol?
The canonical SMILES for (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol is C[C@@H](O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol?
The InChIKey is RBPHBIMHZSTIDT-UWTATZPHSA-N. The full InChI is InChI=1S/C5H5F7O/c1-2(13)3(6,7)4(8,9)5(10,11)12/h2,13H,1H3/t2-/m1/s1.
What are the key properties of (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol?
(2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol has a molecular weight of 214.08 g/mol, XLogP of 2.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3,3,4,4,5,5,5-heptafluoropentan-2-ol is sourced from PubChem (CID 6993807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).