methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate

C10H13F3O3 — CID 101230469

IUPACmethyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate
SMILESCCCC=C=C[C@@](O)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-3-4-5-6-7-9(15,8(14)16-2)10(11,12)13/h5,7,15H,3-4H2,1-2H3/t6?,9-/m1/s1
InChIKeyUMBKOGVQHXNZCN-IOJJLOCKSA-N
MW238.20 g/mol
LogP1.96
Rot. Bonds4

About methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate

methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate (PubChem CID 101230469) has the molecular formula C10H13F3O3 and a molecular weight of 238.20 g/mol. Its IUPAC name is methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate.

Molecular Properties

Compound Namemethyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate
PubChem CID101230469
Molecular FormulaC10H13F3O3
Molecular Weight238.20 g/mol
Exact Mass238.08
IUPAC Namemethyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate
SMILESCCCC=C=C[C@@](O)(C(=O)OC)C(F)(F)F
InChIInChI=1S/C10H13F3O3/c1-3-4-5-6-7-9(15,8(14)16-2)10(11,12)13/h5,7,15H,3-4H2,1-2H3/t6?,9-/m1/s1
InChIKeyUMBKOGVQHXNZCN-IOJJLOCKSA-N
XLogP1.96
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

dimethyl 2-nona-2,3-dienyl-2-prop-2-enylpropanedioate
CID 11415174
dimethyl 2-octa-2,3-dienylpropanedioate
CID 11299441
dimethyl 2-deca-2,3-dienyl-2-prop-2-ynylpropanedioate
CID 101219652
2,2-dimethylocta-3,4-dien-1-ol
CID 14977612
methyl 2,2-difluoroheptadecanoate
CID 150501536
methyl 2,2-difluorodecanoate
CID 22025599
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589
dimethyl 2-buta-1,2-dienyl-2-oct-2-ynylpropanedioate
CID 102202897
methyl tetradeca-10,11-dienoate
CID 91694384
butyl (2S)-3,3,3-trifluoro-2-hydroxy-2-methylpropanoate
CID 11117391
2,2-dimethyldeca-4,5-dien-3-one
CID 121007904
ethyl trideca-3,4-dienoate
CID 24976454

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate?
The IUPAC name of methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate (CID 101230469) is methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate.
What is the SMILES notation for methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate?
The canonical SMILES for methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate is CCCC=C=C[C@@](O)(C(=O)OC)C(F)(F)F.
What is the InChIKey of methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate?
The InChIKey is UMBKOGVQHXNZCN-IOJJLOCKSA-N. The full InChI is InChI=1S/C10H13F3O3/c1-3-4-5-6-7-9(15,8(14)16-2)10(11,12)13/h5,7,15H,3-4H2,1-2H3/t6?,9-/m1/s1.
What are the key properties of methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate?
methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate has a molecular weight of 238.20 g/mol, XLogP of 1.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-2-hydroxy-2-(trifluoromethyl)octa-3,4-dienoate is sourced from PubChem (CID 101230469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).