(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate

C10H15F3O3 — CID 147136545

IUPAC(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CC(O)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c1-6(2)8(15)16-9(3,4)5-7(14)10(11,12)13/h7,14H,1,5H2,2-4H3
InChIKeyCBILYZMGUADLSM-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.20
Rot. Bonds4

About (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate

(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate (PubChem CID 147136545) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
PubChem CID147136545
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Name(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(C)(C)CC(O)C(F)(F)F
InChIInChI=1S/C10H15F3O3/c1-6(2)8(15)16-9(3,4)5-7(14)10(11,12)13/h7,14H,1,5H2,2-4H3
InChIKeyCBILYZMGUADLSM-UHFFFAOYSA-N
XLogP2.20
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[2,6-dimethyl-6-(2-methylprop-2-enoyloxy)-4-oxoheptan-2-yl] 2-methylprop-2-enoate
CID 139852007
2,5,5-trimethylhexan-2-yl 2-methylprop-2-enoate
CID 88557517
[1-[bis[2-methyl-2-(2-methylprop-2-enoyloxy)propyl]amino]-2-methylpropan-2-yl] 2-methylprop-2-enoate
CID 87627513
ethyl 3-methyl-3-(2-methylprop-2-enoyloxy)butanoate
CID 138654943
1,1-dihydroxyethyl 2-methylprop-2-enoate
CID 54314895
[2,4-dimethyl-4-(trimethyl-λ4-sulfanyl)pentan-2-yl] 2-methylprop-2-enoate
CID 167089242
2,2,4-trimethyl-4-(2-methylprop-2-enoyloxy)pentanoic acid
CID 88579591
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
2-methylprop-2-enoic acid;(4,4,4-trifluoro-2,3-dimethylbutan-2-yl) 2-methylprop-2-enoate
CID 159858483
4,4,4-trifluoro-3-(2-methylprop-2-enoyloxymethyl)butanoic acid
CID 167048616
(2-methyl-1-phosphorosooxypropan-2-yl) 2-methylprop-2-enoate
CID 150505910
2-methyltriacontan-2-yl 2-methylprop-2-enoate
CID 21364873

Frequently Asked Questions

What is the IUPAC name of (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate?
The IUPAC name of (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate (CID 147136545) is (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate?
The canonical SMILES for (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC(C)(C)CC(O)C(F)(F)F.
What is the InChIKey of (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate?
The InChIKey is CBILYZMGUADLSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-6(2)8(15)16-9(3,4)5-7(14)10(11,12)13/h7,14H,1,5H2,2-4H3.
What are the key properties of (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate?
(5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate has a molecular weight of 240.22 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,5,5-trifluoro-4-hydroxy-2-methylpentan-2-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 147136545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).