(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol

C13H15F3O2 — CID 10491564

IUPAC(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol
SMILESOC(/C=C/C(F)(F)F)CCOCc1ccccc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)8-6-12(17)7-9-18-10-11-4-2-1-3-5-11/h1-6,8,12,17H,7,9-10H2/b8-6+
InChIKeyDVLMWYOTQNUZRR-SOFGYWHQSA-N
MW260.25 g/mol
LogP3.07
Rot. Bonds6

About (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol

(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol (PubChem CID 10491564) has the molecular formula C13H15F3O2 and a molecular weight of 260.25 g/mol. Its IUPAC name is (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol.

Molecular Properties

Compound Name(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol
PubChem CID10491564
Molecular FormulaC13H15F3O2
Molecular Weight260.25 g/mol
Exact Mass260.10
IUPAC Name(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol
SMILESOC(/C=C/C(F)(F)F)CCOCc1ccccc1
InChIInChI=1S/C13H15F3O2/c14-13(15,16)8-6-12(17)7-9-18-10-11-4-2-1-3-5-11/h1-6,8,12,17H,7,9-10H2/b8-6+
InChIKeyDVLMWYOTQNUZRR-SOFGYWHQSA-N
XLogP3.07
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 53.07
H-Bond Donors ≤ 51
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

2-hydroxy-4-phenylmethoxybutanal
CID 130035859
2-[(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-yl]oxyacetyl chloride
CID 10568904
(2R)-2-fluoro-4-phenylmethoxybutan-1-ol
CID 129405204
(3R)-6-phenylmethoxyhex-1-en-3-ol
CID 23649849
[(3R)-3-fluoro-3-iodopropoxy]methylbenzene
CID 125475539
1-amino-3-phenylmethoxypropan-1-ol
CID 141197140
(3R)-1-phenylmethoxyhept-6-en-3-ol
CID 59371366
(2S)-1,4-bis(phenylmethoxy)butan-2-ol
CID 14814227
(3R)-5-phenylmethoxypentane-1,3-diol
CID 73332901
(2S)-2-hydroxy-4-phenylmethoxybutanoic acid
CID 15282429
4-hydroxy-6-phenylmethoxyhexanoic acid
CID 130913832
1-fluoro-5-phenylmethoxypentan-2-ol
CID 14003295

Frequently Asked Questions

What is the IUPAC name of (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol?
The IUPAC name of (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol (CID 10491564) is (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol.
What is the SMILES notation for (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol?
The canonical SMILES for (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol is OC(/C=C/C(F)(F)F)CCOCc1ccccc1.
What is the InChIKey of (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol?
The InChIKey is DVLMWYOTQNUZRR-SOFGYWHQSA-N. The full InChI is InChI=1S/C13H15F3O2/c14-13(15,16)8-6-12(17)7-9-18-10-11-4-2-1-3-5-11/h1-6,8,12,17H,7,9-10H2/b8-6+.
What are the key properties of (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol?
(E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol has a molecular weight of 260.25 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-6,6,6-trifluoro-1-phenylmethoxyhex-4-en-3-ol is sourced from PubChem (CID 10491564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).