(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol

C4H2F8O — CID 98055023

IUPAC(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
SMILESO[C@H](C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9/h1,13H/t1-/m0/s1
InChIKeyZVXAXABPTOPGDK-SFOWXEAESA-N
MW218.04 g/mol
LogP2.11
Rot. Bonds1

About (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol

(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol (PubChem CID 98055023) has the molecular formula C4H2F8O and a molecular weight of 218.04 g/mol. Its IUPAC name is (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol.

Molecular Properties

Compound Name(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
PubChem CID98055023
Molecular FormulaC4H2F8O
Molecular Weight218.04 g/mol
Exact Mass218.00
IUPAC Name(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol
SMILESO[C@H](C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C4H2F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9/h1,13H/t1-/m0/s1
InChIKeyZVXAXABPTOPGDK-SFOWXEAESA-N
XLogP2.11
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol?
The IUPAC name of (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol (CID 98055023) is (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol.
What is the SMILES notation for (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol?
The canonical SMILES for (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol is O[C@H](C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol?
The InChIKey is ZVXAXABPTOPGDK-SFOWXEAESA-N. The full InChI is InChI=1S/C4H2F8O/c5-2(6,4(10,11)12)1(13)3(7,8)9/h1,13H/t1-/m0/s1.
What are the key properties of (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol?
(2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol has a molecular weight of 218.04 g/mol, XLogP of 2.11, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1,1,1,3,3,4,4,4-octafluorobutan-2-ol is sourced from PubChem (CID 98055023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).