1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol

C12H13FO2 — CID 173322831

IUPAC1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
SMILESC=CCOC(O)(F)C=Cc1ccccc1
InChIInChI=1S/C12H13FO2/c1-2-10-15-12(13,14)9-8-11-6-4-3-5-7-11/h2-9,14H,1,10H2
InChIKeyARNNJMICVGRFFL-UHFFFAOYSA-N
MW208.23 g/mol
LogP2.52
Rot. Bonds5

About 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol

1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol (PubChem CID 173322831) has the molecular formula C12H13FO2 and a molecular weight of 208.23 g/mol. Its IUPAC name is 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol.

Molecular Properties

Compound Name1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
PubChem CID173322831
Molecular FormulaC12H13FO2
Molecular Weight208.23 g/mol
Exact Mass208.09
IUPAC Name1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol
SMILESC=CCOC(O)(F)C=Cc1ccccc1
InChIInChI=1S/C12H13FO2/c1-2-10-15-12(13,14)9-8-11-6-4-3-5-7-11/h2-9,14H,1,10H2
InChIKeyARNNJMICVGRFFL-UHFFFAOYSA-N
XLogP2.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.23
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1,1,1-trifluoro-4-phenylbut-3-ene-2,2-diol
CID 89384206
(Z)-1,1,3-triphenylprop-2-en-1-ol
CID 92856099
2-(dichloromethyl)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 71360876
(Z)-3-methyl-1-phenylpent-1-en-3-ol
CID 20841410
[(E)-3-phenylprop-2-enyl] prop-2-enyl carbonate
CID 13272699
[(E)-3,3-bis(prop-2-enoxy)prop-1-enyl]benzene
CID 24895615
[(E)-5,5,5-trifluoro-3-methylidenepent-1-enyl]benzene
CID 102489190
(E)-4-phenyl-2-trimethylsilylbut-3-en-2-ol
CID 102406299
buta-1,3-diene;3,3,4,5,5,5-hexafluoropent-1-enylbenzene
CID 175218097
(1E,4E)-3-(1-ethenylcyclopropyl)-1,5-diphenylpenta-1,4-dien-3-ol
CID 100942786
ethyl (Z)-2,2-difluoro-4-(4-phenylphenyl)but-3-enoate
CID 163210308
hydride;rubidium(1+);stilbene
CID 173437843

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol?
The IUPAC name of 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol (CID 173322831) is 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol.
What is the SMILES notation for 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol?
The canonical SMILES for 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol is C=CCOC(O)(F)C=Cc1ccccc1.
What is the InChIKey of 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol?
The InChIKey is ARNNJMICVGRFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FO2/c1-2-10-15-12(13,14)9-8-11-6-4-3-5-7-11/h2-9,14H,1,10H2.
What are the key properties of 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol?
1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol has a molecular weight of 208.23 g/mol, XLogP of 2.52, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3-phenyl-1-prop-2-enoxyprop-2-en-1-ol is sourced from PubChem (CID 173322831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).