(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol

C5H6F6O2 — CID 135017833

IUPAC(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
SMILESOC(C[C@H](O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2/t2-,3?/m0/s1
InChIKeyGGJLQYZUNXNIEQ-SCQFTWEKSA-N
MW212.09 g/mol
LogP1.22
Rot. Bonds2

About (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol

(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol (PubChem CID 135017833) has the molecular formula C5H6F6O2 and a molecular weight of 212.09 g/mol. Its IUPAC name is (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol.

Molecular Properties

Compound Name(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
PubChem CID135017833
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol
SMILESOC(C[C@H](O)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2/t2-,3?/m0/s1
InChIKeyGGJLQYZUNXNIEQ-SCQFTWEKSA-N
XLogP1.22
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 51.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

tris(1,1,1,5,5,5-hexafluoropentane-2,4-diol);zinc
CID 5231417
1,1,1-trifluorohexane-2,4-diol;hydrochloride
CID 174612779
1,1,1-trifluoro-4,5,5-trimethylhexan-2-ol
CID 155261760
1,1,1-trifluoro-4-propan-2-ylhexane-2,5-diol
CID 79423648
(2S)-3-amino-1,1,1-trifluoropropan-2-ol
CID 2779001
3-chloro-1,1,1-trifluoropropan-2-ol;hydrate
CID 172788592
bis(diphenylphosphorylbenzene);1,1,1,5,5,5-hexafluoropentane-2,4-diol;terbium
CID 155644613
1,1,1-trifluoro-3-(hydroxyamino)propan-2-ol
CID 18071378
(2S)-4-amino-1,1,1-trifluorobutan-2-ol
CID 51886728
(2S)-1,1,1-trifluoro-4,4-dimethylpentan-2-ol
CID 58361159
(2R)-1,1,1-trifluoropentan-2-ol
CID 13299815
1,1,1-trifluoro-4-methylpent-4-en-2-ol
CID 79177366

Frequently Asked Questions

What is the IUPAC name of (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The IUPAC name of (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol (CID 135017833) is (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol.
What is the SMILES notation for (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The canonical SMILES for (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol is OC(C[C@H](O)C(F)(F)F)C(F)(F)F.
What is the InChIKey of (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol?
The InChIKey is GGJLQYZUNXNIEQ-SCQFTWEKSA-N. The full InChI is InChI=1S/C5H6F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h2-3,12-13H,1H2/t2-,3?/m0/s1.
What are the key properties of (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol?
(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol has a molecular weight of 212.09 g/mol, XLogP of 1.22, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol is sourced from PubChem (CID 135017833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).