(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol

C11H11F3O — CID 10703917

IUPAC(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
SMILESC/C(=C\c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(10(15)11(12,13)14)7-9-5-3-2-4-6-9/h2-7,10,15H,1H3/b8-7+
InChIKeyHQDBJXJDWOPWCB-BQYQJAHWSA-N
MW216.20 g/mol
LogP3.01
Rot. Bonds2

About (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol

(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol (PubChem CID 10703917) has the molecular formula C11H11F3O and a molecular weight of 216.20 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
PubChem CID10703917
Molecular FormulaC11H11F3O
Molecular Weight216.20 g/mol
Exact Mass216.08
IUPAC Name(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol
SMILESC/C(=C\c1ccccc1)C(O)C(F)(F)F
InChIInChI=1S/C11H11F3O/c1-8(10(15)11(12,13)14)7-9-5-3-2-4-6-9/h2-7,10,15H,1H3/b8-7+
InChIKeyHQDBJXJDWOPWCB-BQYQJAHWSA-N
XLogP3.01
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(E)-3,4-dimethyl-5-phenylpent-4-en-2-ol
CID 13214341
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-ene-2,2-diol
CID 162604448
(1E,3R)-5-fluoro-2-methyl-1-phenylhexa-1,5-dien-3-ol
CID 102579772
[3,3,3-trifluoro-2-(trifluoromethyl)prop-1-enyl]benzene
CID 640491
(E)-4,4,5,5,6,6,6-heptafluoro-1-(4-fluorophenyl)-2-methylhex-1-en-3-ol
CID 10568693
bis(1,1,1,3,3,3-hexafluoropropan-2-ol);styrene
CID 22506486
ditert-butyl(1-phenylprop-1-en-2-yl)phosphane
CID 140620525
trimethyl-[(Z)-1-phenylprop-1-en-2-yl]oxysilane
CID 10822185
[(2R)-3-methyl-4-phenylbut-3-en-2-yl] acetate
CID 57372595
[(E)-2,3,5-trimethylhept-1-enyl]benzene
CID 102271069
(2Z,4S,5Z)-4,5-dimethyl-6-phenylhexa-2,5-dienal
CID 142809063
(E)-3-methyl-4-[4-(trifluoromethylsulfanyl)phenyl]but-3-en-2-ol
CID 103091265

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol (CID 10703917) is (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol is C/C(=C\c1ccccc1)C(O)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol?
The InChIKey is HQDBJXJDWOPWCB-BQYQJAHWSA-N. The full InChI is InChI=1S/C11H11F3O/c1-8(10(15)11(12,13)14)7-9-5-3-2-4-6-9/h2-7,10,15H,1H3/b8-7+.
What are the key properties of (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol?
(E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol has a molecular weight of 216.20 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-3-methyl-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 10703917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).