(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol

C13H13F3O — CID 132542568

IUPAC(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
SMILESCC(C)=C/C(=C(/O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c1-9(2)8-11(12(17)13(14,15)16)10-6-4-3-5-7-10/h3-8,17H,1-2H3/b12-11-
InChIKeySXHJKXJGRQFNFE-QXMHVHEDSA-N
MW242.24 g/mol
LogP4.48
Rot. Bonds2

About (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol

(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol (PubChem CID 132542568) has the molecular formula C13H13F3O and a molecular weight of 242.24 g/mol. Its IUPAC name is (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol.

Molecular Properties

Compound Name(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
PubChem CID132542568
Molecular FormulaC13H13F3O
Molecular Weight242.24 g/mol
Exact Mass242.09
IUPAC Name(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol
SMILESCC(C)=C/C(=C(/O)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H13F3O/c1-9(2)8-11(12(17)13(14,15)16)10-6-4-3-5-7-10/h3-8,17H,1-2H3/b12-11-
InChIKeySXHJKXJGRQFNFE-QXMHVHEDSA-N
XLogP4.48
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-5,5,5-trifluoro-4-hydroxy-3-phenylpent-3-en-2-one
CID 10962887
(3,3,3-trifluoro-2-methyl-1-phenylprop-1-enyl)benzene
CID 102368693
(Z)-1,1,1-trifluoro-4-oxo-3-phenylbut-2-ene-2-thiolate
CID 137279575
(NE)-N-(3-methyl-1-phenylbut-2-enylidene)hydroxylamine
CID 12637249
(Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one
CID 5366057
N-(benzenesulfonyl)-N-[(2E)-5-methyl-1-oxo-3-phenylhexa-2,4-dien-2-yl]benzenesulfonamide
CID 177451242
1-phenyl-N-(2,2,2-trifluoroethoxy)ethanimine
CID 173208454
4-ethylimino-1,1,1-trifluoro-3-phenylbut-2-en-2-amine
CID 174037599
1-phenyl-4-(1,1,1-trifluoro-3-methylbut-2-en-2-yl)benzene
CID 166438756
hafnium;tetrakis((Z)-4,4,4-trifluoro-3-hydroxy-1-phenylbut-2-en-1-one)
CID 135667027
iron;tris((Z)-1,1,1-trifluoro-4-hydroxy-4-phenylbut-3-en-2-one)
CID 50930578
2-phenylpenta-2,4-dien-3-ylbenzene
CID 175534652

Frequently Asked Questions

What is the IUPAC name of (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol?
The IUPAC name of (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol (CID 132542568) is (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol.
What is the SMILES notation for (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol?
The canonical SMILES for (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol is CC(C)=C/C(=C(/O)C(F)(F)F)c1ccccc1.
What is the InChIKey of (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol?
The InChIKey is SXHJKXJGRQFNFE-QXMHVHEDSA-N. The full InChI is InChI=1S/C13H13F3O/c1-9(2)8-11(12(17)13(14,15)16)10-6-4-3-5-7-10/h3-8,17H,1-2H3/b12-11-.
What are the key properties of (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol?
(2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol has a molecular weight of 242.24 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-1,1,1-trifluoro-5-methyl-3-phenylhexa-2,4-dien-2-ol is sourced from PubChem (CID 132542568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).