(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol

C9H15F3O2 — CID 134965073

IUPAC(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol
SMILESCCCC/C=C/[C@@](O)(CO)C(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-2-3-4-5-6-8(14,7-13)9(10,11)12/h5-6,13-14H,2-4,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyLAIZLRPAHXJJJH-HQZHTGGTSA-N
MW212.21 g/mol
LogP2.02
Rot. Bonds5

About (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol

(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol (PubChem CID 134965073) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol.

Molecular Properties

Compound Name(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol
PubChem CID134965073
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol
SMILESCCCC/C=C/[C@@](O)(CO)C(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-2-3-4-5-6-8(14,7-13)9(10,11)12/h5-6,13-14H,2-4,7H2,1H3/b6-5+/t8-/m1/s1
InChIKeyLAIZLRPAHXJJJH-HQZHTGGTSA-N
XLogP2.02
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2S,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
CID 162903139
(2R,3E,6E)-2,6-dimethylocta-3,6-diene-1,2,8-triol
CID 162903140
1,1-Difluorohex-2-ene-1,5-diol
CID 90736325
(2R,3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 57737825
(3S,5E)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 88283532
(3S,5E)-2-methyl-6-(trifluoromethyl)nona-1,5,8-trien-3-ol
CID 89119642
(Z)-1,1,1,7,7,7-hexafluoro-4-methyl-2-(trifluoromethyl)hept-3-ene-2,6-diol
CID 89127896
(2E,6E)-5,5-difluoronona-2,6-dien-4-ol
CID 89773351
(2R,3S)-6-(trifluoromethyl)nona-5,8-diene-2,3-diol
CID 90721431
8,8,8-Trifluorooct-4-ene-2,6-diol
CID 149876509
(E,2R)-2-prop-2-enylpent-3-ene-1,2-diol
CID 135038970
(5E)-3,3-difluorodeca-1,5-dien-4-ol
CID 10888740

Frequently Asked Questions

What is the IUPAC name of (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol?
The IUPAC name of (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol (CID 134965073) is (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol.
What is the SMILES notation for (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol?
The canonical SMILES for (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol is CCCC/C=C/[C@@](O)(CO)C(F)(F)F.
What is the InChIKey of (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol?
The InChIKey is LAIZLRPAHXJJJH-HQZHTGGTSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-2-3-4-5-6-8(14,7-13)9(10,11)12/h5-6,13-14H,2-4,7H2,1H3/b6-5+/t8-/m1/s1.
What are the key properties of (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol?
(E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol has a molecular weight of 212.21 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-2-(trifluoromethyl)oct-3-ene-1,2-diol is sourced from PubChem (CID 134965073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).