(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol

C14H13F3O2 — CID 10492249

IUPAC(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol
SMILESCCO/C(=C\C(O)C#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H13F3O2/c1-2-19-13(14(15,16)17)10-12(18)9-8-11-6-4-3-5-7-11/h3-7,10,12,18H,2H2,1H3/b13-10-
InChIKeyZTUAXZIYEFRRBL-RAXLEYEMSA-N
MW270.25 g/mol
LogP2.88
Rot. Bonds3

About (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol

(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol (PubChem CID 10492249) has the molecular formula C14H13F3O2 and a molecular weight of 270.25 g/mol. Its IUPAC name is (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol.

Molecular Properties

Compound Name(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol
PubChem CID10492249
Molecular FormulaC14H13F3O2
Molecular Weight270.25 g/mol
Exact Mass270.09
IUPAC Name(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol
SMILESCCO/C(=C\C(O)C#Cc1ccccc1)C(F)(F)F
InChIInChI=1S/C14H13F3O2/c1-2-19-13(14(15,16)17)10-12(18)9-8-11-6-4-3-5-7-11/h3-7,10,12,18H,2H2,1H3/b13-10-
InChIKeyZTUAXZIYEFRRBL-RAXLEYEMSA-N
XLogP2.88
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-(3,4-Difluorophenyl)hex-1-yn-3-ol
CID 156015115
(3R)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156018316
(3S)-1-(3,4-difluorophenyl)hex-1-yn-3-ol
CID 156021925
(E)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
CID 10176582
3-Butyn-2-ol, 1,1,1-trifluoro-4-phenyl-
CID 11412978
4-(4-Fluorophenyl)but-3-YN-2-OL
CID 23006384
4-Methyl-1-[4-(trifluoromethyl)phenyl]penta-1,4-dien-3-ol
CID 49859307
(Z)-5-ethoxy-4,4-difluoro-6-phenylhex-5-en-3-ol
CID 11097185
(E)-4-(4-fluorophenyl)but-3-en-2-ol
CID 12045294
1-(2,4-Difluorophenyl)-3-hydroxy-4-penten-1-yne
CID 50937009
(e)-1-(2,4-Difluorophenyl)-3-hydroxy-5-phenyl-4-penten-1-yne
CID 102383487
(Z)-3-ethoxy-4,4,5,5,5-pentafluoro-2-(1-hydroxy-3-phenylprop-2-ynyl)pent-2-enenitrile
CID 134933299

Frequently Asked Questions

What is the IUPAC name of (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol?
The IUPAC name of (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol (CID 10492249) is (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol.
What is the SMILES notation for (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol?
The canonical SMILES for (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol is CCO/C(=C\C(O)C#Cc1ccccc1)C(F)(F)F.
What is the InChIKey of (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol?
The InChIKey is ZTUAXZIYEFRRBL-RAXLEYEMSA-N. The full InChI is InChI=1S/C14H13F3O2/c1-2-19-13(14(15,16)17)10-12(18)9-8-11-6-4-3-5-7-11/h3-7,10,12,18H,2H2,1H3/b13-10-.
What are the key properties of (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol?
(Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol has a molecular weight of 270.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-5-ethoxy-6,6,6-trifluoro-1-phenylhex-4-en-1-yn-3-ol is sourced from PubChem (CID 10492249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).