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

C5H5F7O — CID 87880938

IUPAC1,1,1,3,4,5,5-heptafluoropentan-2-ol
SMILESOC(C(F)C(F)C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-1(2(7)4(8)9)3(13)5(10,11)12/h1-4,13H
InChIKeyJMAOUVMZFUYTOF-UHFFFAOYSA-N
MW214.08 g/mol
LogP1.85
Rot. Bonds3

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

1,1,1,3,4,5,5-heptafluoropentan-2-ol (PubChem CID 87880938) has the molecular formula C5H5F7O and a molecular weight of 214.08 g/mol. Its IUPAC name is 1,1,1,3,4,5,5-heptafluoropentan-2-ol.

Molecular Properties

Compound Name1,1,1,3,4,5,5-heptafluoropentan-2-ol
PubChem CID87880938
Molecular FormulaC5H5F7O
Molecular Weight214.08 g/mol
Exact Mass214.02
IUPAC Name1,1,1,3,4,5,5-heptafluoropentan-2-ol
SMILESOC(C(F)C(F)C(F)F)C(F)(F)F
InChIInChI=1S/C5H5F7O/c6-1(2(7)4(8)9)3(13)5(10,11)12/h1-4,13H
InChIKeyJMAOUVMZFUYTOF-UHFFFAOYSA-N
XLogP1.85
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.08
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,4,5,5-heptafluoropentan-2-ol?
The IUPAC name of 1,1,1,3,4,5,5-heptafluoropentan-2-ol (CID 87880938) is 1,1,1,3,4,5,5-heptafluoropentan-2-ol.
What is the SMILES notation for 1,1,1,3,4,5,5-heptafluoropentan-2-ol?
The canonical SMILES for 1,1,1,3,4,5,5-heptafluoropentan-2-ol is OC(C(F)C(F)C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,4,5,5-heptafluoropentan-2-ol?
The InChIKey is JMAOUVMZFUYTOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5F7O/c6-1(2(7)4(8)9)3(13)5(10,11)12/h1-4,13H.
What are the key properties of 1,1,1,3,4,5,5-heptafluoropentan-2-ol?
1,1,1,3,4,5,5-heptafluoropentan-2-ol has a molecular weight of 214.08 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,4,5,5-heptafluoropentan-2-ol is sourced from PubChem (CID 87880938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).