1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)

C13H18F6O6 — CID 87363982

IUPAC1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OC(F)C(F)C(F)C(F)C(O)(F)F
InChIInChI=1S/C5H6F6O2.2C4H6O2/c6-1(2(7)4(9)12)3(8)5(10,11)13;2*1-3(2)4(5)6/h1-4,12-13H;2*1H2,2H3,(H,5,6)
InChIKeyJWRSPZFVUPGTGY-UHFFFAOYSA-N
MW384.27 g/mol
LogP2.17
Rot. Bonds6

About 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)

1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid) (PubChem CID 87363982) has the molecular formula C13H18F6O6 and a molecular weight of 384.27 g/mol. Its IUPAC name is 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid).

Molecular Properties

Compound Name1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)
PubChem CID87363982
Molecular FormulaC13H18F6O6
Molecular Weight384.27 g/mol
Exact Mass384.10
IUPAC Name1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)
SMILESC=C(C)C(=O)O.C=C(C)C(=O)O.OC(F)C(F)C(F)C(F)C(O)(F)F
InChIInChI=1S/C5H6F6O2.2C4H6O2/c6-1(2(7)4(9)12)3(8)5(10,11)13;2*1-3(2)4(5)6/h1-4,12-13H;2*1H2,2H3,(H,5,6)
InChIKeyJWRSPZFVUPGTGY-UHFFFAOYSA-N
XLogP2.17
TPSA115.06 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.27
LogP ≤ 52.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
CID 159325388
1,1,2,2,3,3,4,4,5,6,7,7-dodecafluoroheptan-1-ol;2-methylprop-2-enoic acid
CID 174617566
2-methylprop-2-enoic acid;2,2,2-trifluoroacetic acid
CID 157277340
λ2-plumbane;2-methylprop-2-enoic acid
CID 173012443
CID 131883821
CID 131883821
tris(2-methylprop-2-enoic acid);yttrium
CID 121233543
acetic acid;2-methylprop-2-enoic acid
CID 21426946
ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
2-Propenoic acid,2-methyl-, aluminum salt (3:1)
CID 87069865
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
1,1,2,3,4,5,6,7,7-nonafluoroheptan-1-ol
CID 18676336

Frequently Asked Questions

What is the IUPAC name of 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)?
The IUPAC name of 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid) (CID 87363982) is 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid).
What is the SMILES notation for 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)?
The canonical SMILES for 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid) is C=C(C)C(=O)O.C=C(C)C(=O)O.OC(F)C(F)C(F)C(F)C(O)(F)F.
What is the InChIKey of 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)?
The InChIKey is JWRSPZFVUPGTGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2.2C4H6O2/c6-1(2(7)4(9)12)3(8)5(10,11)13;2*1-3(2)4(5)6/h1-4,12-13H;2*1H2,2H3,(H,5,6).
What are the key properties of 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)?
1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid) has a molecular weight of 384.27 g/mol, XLogP of 2.17, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid) is sourced from PubChem (CID 87363982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).