1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese

C15H18F18MnO6 — CID 135017832

IUPAC1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(C[C@H](O)C(F)(F)F)C(F)(F)F.O[C@H](C[C@@H](O)C(F)(F)F)C(F)(F)F.[Mn]
InChIInChI=1S/3C5H6F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;/t2-,3?;2-,3-;;/m01../s1
InChIKeyRSPSOYPLTSFBDV-OFRMGIRVSA-N
MW691.20 g/mol
LogP3.67
Rot. Bonds6

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

1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese (PubChem CID 135017832) has the molecular formula C15H18F18MnO6 and a molecular weight of 691.20 g/mol. Its IUPAC name is 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese.

Molecular Properties

Compound Name1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese
PubChem CID135017832
Molecular FormulaC15H18F18MnO6
Molecular Weight691.20 g/mol
Exact Mass691.02
IUPAC Name1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese
SMILESOC(CC(O)C(F)(F)F)C(F)(F)F.OC(C[C@H](O)C(F)(F)F)C(F)(F)F.O[C@H](C[C@@H](O)C(F)(F)F)C(F)(F)F.[Mn]
InChIInChI=1S/3C5H6F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;/t2-,3?;2-,3-;;/m01../s1
InChIKeyRSPSOYPLTSFBDV-OFRMGIRVSA-N
XLogP3.67
TPSA121.38 Ų
H-Bond Donors6
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500691.20
LogP ≤ 53.67
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 106

Analyze 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese?
The IUPAC name of 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese (CID 135017832) is 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese.
What is the SMILES notation for 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese?
The canonical SMILES for 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese is OC(CC(O)C(F)(F)F)C(F)(F)F.OC(C[C@H](O)C(F)(F)F)C(F)(F)F.O[C@H](C[C@@H](O)C(F)(F)F)C(F)(F)F.[Mn].
What is the InChIKey of 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese?
The InChIKey is RSPSOYPLTSFBDV-OFRMGIRVSA-N. The full InChI is InChI=1S/3C5H6F6O2.Mn/c3*6-4(7,8)2(12)1-3(13)5(9,10)11;/h3*2-3,12-13H,1H2;/t2-,3?;2-,3-;;/m01../s1.
What are the key properties of 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese?
1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese has a molecular weight of 691.20 g/mol, XLogP of 3.67, 6 rotatable bonds, 6 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,5,5,5-hexafluoropentane-2,4-diol;(2R,4R)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;(4S)-1,1,1,5,5,5-hexafluoropentane-2,4-diol;manganese is sourced from PubChem (CID 135017832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).