(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol

C6H3F11O — CID 141394764

IUPAC(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol
SMILESO[C@H]([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-1(2(18)4(9,10)11)3(8,5(12,13)14)6(15,16)17/h1-2,18H/t1-,2-/m1/s1
InChIKeyVMRFYPUVYSLBDT-JCYAYHJZSA-N
MW300.07 g/mol
LogP3.08
Rot. Bonds2

About (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol

(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol (PubChem CID 141394764) has the molecular formula C6H3F11O and a molecular weight of 300.07 g/mol. Its IUPAC name is (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol.

Molecular Properties

Compound Name(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol
PubChem CID141394764
Molecular FormulaC6H3F11O
Molecular Weight300.07 g/mol
Exact Mass300.00
IUPAC Name(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol
SMILESO[C@H]([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H3F11O/c7-1(2(18)4(9,10)11)3(8,5(12,13)14)6(15,16)17/h1-2,18H/t1-,2-/m1/s1
InChIKeyVMRFYPUVYSLBDT-JCYAYHJZSA-N
XLogP3.08
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.07
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol with MolForge

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Related Compounds

3-(Perfluoroisopropyl)propanol
CID 542739
1H,1H,3H-Perfluoro(2,4-dimethylpentan-1-ol)
CID 2782564
2,2,3,4,4,4-Hexafluoro-3-(trifluoromethyl)butan-1-ol
CID 44717703
2,4-Bis(trifluoromethyl)-1,1,1,2,4,5,5,5-octafluoro-3-pentanol
CID 18769263
1,1,1,2,2,4,5,5,5-Nonafluoro-4-(trifluoromethyl)-3-pentanol
CID 13493957
1,1,1,2,2,5,5,5-Octafluoro-4-(trifluoromethyl)pentan-3-ol
CID 12554040
2-(Difluoromethyl)-1,1,1,5,5,5-hexafluoropentan-3-ol
CID 91695297
2,3,3,4,4,4-Hexafluoro-2-(trifluoromethyl)butan-1-ol
CID 13723069
1,1,1,2,2,4,4,5,5,5-Decafluoropentan-3-ol
CID 14643988
1,1,1,3,3,4,4,5,5,5-Decafluoropentan-2-ol
CID 14933411
1,1,1,3,4,4,4-Heptafluoro-3-(trifluoromethyl)butan-2-ol
CID 18769259
1,1,1,2,3,3,5,5,6,7,7,7-Dodecafluoro-2,6-bis(trifluoromethyl)heptan-4-ol
CID 18769260

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol?
The IUPAC name of (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol (CID 141394764) is (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol.
What is the SMILES notation for (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol?
The canonical SMILES for (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol is O[C@H]([C@@H](F)C(F)(C(F)(F)F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol?
The InChIKey is VMRFYPUVYSLBDT-JCYAYHJZSA-N. The full InChI is InChI=1S/C6H3F11O/c7-1(2(18)4(9,10)11)3(8,5(12,13)14)6(15,16)17/h1-2,18H/t1-,2-/m1/s1.
What are the key properties of (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol?
(2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol has a molecular weight of 300.07 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-1,1,1,3,4,5,5,5-octafluoro-4-(trifluoromethyl)pentan-2-ol is sourced from PubChem (CID 141394764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).