1,1,1,2,3,3,4,4-octafluorobutan-2-ol

C4H2F8O — CID 21243755

IUPAC1,1,1,2,3,3,4,4-octafluorobutan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O/c5-1(6)2(7,8)3(9,13)4(10,11)12/h1,13H
InChIKeyGHSNNROMWJRNDQ-UHFFFAOYSA-N
MW218.04 g/mol
LogP2.11
Rot. Bonds2

About 1,1,1,2,3,3,4,4-octafluorobutan-2-ol

1,1,1,2,3,3,4,4-octafluorobutan-2-ol (PubChem CID 21243755) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is 1,1,1,2,3,3,4,4-octafluorobutan-2-ol.

Molecular Properties

Compound Name1,1,1,2,3,3,4,4-octafluorobutan-2-ol
PubChem CID21243755
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name1,1,1,2,3,3,4,4-octafluorobutan-2-ol
SMILESOC(F)(C(F)(F)F)C(F)(F)C(F)F
InChIInChI=1S/C4H2F8O/c5-1(6)2(7,8)3(9,13)4(10,11)12/h1,13H
InChIKeyGHSNNROMWJRNDQ-UHFFFAOYSA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.04
LogP ≤ 52.11
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-octafluorobutan-2-ol?
The IUPAC name of 1,1,1,2,3,3,4,4-octafluorobutan-2-ol (CID 21243755) is 1,1,1,2,3,3,4,4-octafluorobutan-2-ol.
What is the SMILES notation for 1,1,1,2,3,3,4,4-octafluorobutan-2-ol?
The canonical SMILES for 1,1,1,2,3,3,4,4-octafluorobutan-2-ol is OC(F)(C(F)(F)F)C(F)(F)C(F)F.
What is the InChIKey of 1,1,1,2,3,3,4,4-octafluorobutan-2-ol?
The InChIKey is GHSNNROMWJRNDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2F8O/c5-1(6)2(7,8)3(9,13)4(10,11)12/h1,13H.
What are the key properties of 1,1,1,2,3,3,4,4-octafluorobutan-2-ol?
1,1,1,2,3,3,4,4-octafluorobutan-2-ol has a molecular weight of 218.04 g/mol, XLogP of 2.11, 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-octafluorobutan-2-ol is sourced from PubChem (CID 21243755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).