bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid

C10H10F12O4 — CID 159325388

IUPACbis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6O2.2C3H2F6O/c1-3(2)4(5)6;2*4-2(5,6)1(10)3(7,8)9/h1H2,2H3,(H,5,6);2*1,10H
InChIKeyLEHHVQSLZJSBEX-UHFFFAOYSA-N
MW422.16 g/mol
LogP3.59
Rot. Bonds1

About bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid

bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid (PubChem CID 159325388) has the molecular formula C10H10F12O4 and a molecular weight of 422.16 g/mol. Its IUPAC name is bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid.

Molecular Properties

Compound Namebis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
PubChem CID159325388
Molecular FormulaC10H10F12O4
Molecular Weight422.16 g/mol
Exact Mass422.04
IUPAC Namebis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid
SMILESC=C(C)C(=O)O.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C4H6O2.2C3H2F6O/c1-3(2)4(5)6;2*4-2(5,6)1(10)3(7,8)9/h1H2,2H3,(H,5,6);2*1,10H
InChIKeyLEHHVQSLZJSBEX-UHFFFAOYSA-N
XLogP3.59
TPSA77.76 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.16
LogP ≤ 53.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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CID 157277340
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CID 131883821
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CID 121233543
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ethane;bis(2-methylprop-2-enoic acid)
CID 87619293
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tris(2-methylprop-2-enoic acid);zirconium
CID 175448767
ethene;bis(2-methylprop-2-enoic acid)
CID 158500428
difluorophosphinous acid;2-methylprop-2-enoic acid;propan-2-ol
CID 175372162
bis(2-methylprop-2-enoic acid);2,2,3,3-tetrafluorobutane-1,4-diol
CID 53446164
1,1,2,3,4,5-hexafluoropentane-1,5-diol;bis(2-methylprop-2-enoic acid)
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Frequently Asked Questions

What is the IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid?
The IUPAC name of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid (CID 159325388) is bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid.
What is the SMILES notation for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid?
The canonical SMILES for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid is C=C(C)C(=O)O.OC(C(F)(F)F)C(F)(F)F.OC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid?
The InChIKey is LEHHVQSLZJSBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6O2.2C3H2F6O/c1-3(2)4(5)6;2*4-2(5,6)1(10)3(7,8)9/h1H2,2H3,(H,5,6);2*1,10H.
What are the key properties of bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid?
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid has a molecular weight of 422.16 g/mol, XLogP of 3.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,1,1,3,3,3-hexafluoropropan-2-ol);2-methylprop-2-enoic acid is sourced from PubChem (CID 159325388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).