(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol

C4H4F6O — CID 130624158

IUPAC(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol
SMILESO[C@H]([C@@H](F)C(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c5-1(3(6)7)2(11)4(8,9)10/h1-3,11H/t1-,2-/m1/s1
InChIKeyXPRHZKIPOUDNSC-JCYAYHJZSA-N
MW182.06 g/mol
LogP1.51
Rot. Bonds2

About (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol

(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol (PubChem CID 130624158) has the molecular formula C4H4F6O and a molecular weight of 182.06 g/mol. Its IUPAC name is (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol.

Molecular Properties

Compound Name(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol
PubChem CID130624158
Molecular FormulaC4H4F6O
Molecular Weight182.06 g/mol
Exact Mass182.02
IUPAC Name(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol
SMILESO[C@H]([C@@H](F)C(F)F)C(F)(F)F
InChIInChI=1S/C4H4F6O/c5-1(3(6)7)2(11)4(8,9)10/h1-3,11H/t1-,2-/m1/s1
InChIKeyXPRHZKIPOUDNSC-JCYAYHJZSA-N
XLogP1.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.06
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol?
The IUPAC name of (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol (CID 130624158) is (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol.
What is the SMILES notation for (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol?
The canonical SMILES for (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol is O[C@H]([C@@H](F)C(F)F)C(F)(F)F.
What is the InChIKey of (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol?
The InChIKey is XPRHZKIPOUDNSC-JCYAYHJZSA-N. The full InChI is InChI=1S/C4H4F6O/c5-1(3(6)7)2(11)4(8,9)10/h1-3,11H/t1-,2-/m1/s1.
What are the key properties of (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol?
(2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol has a molecular weight of 182.06 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,1,3,4,4-hexafluorobutan-2-ol is sourced from PubChem (CID 130624158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).