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

C10H9F3O — CID 12755331

IUPAC(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESO[C@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7,9,14H/b7-6+/t9-/m1/s1
InChIKeyTWENPNDYVIPCRK-XCODYQFDSA-N
MW202.17 g/mol
LogP2.62
Rot. Bonds2

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

(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (PubChem CID 12755331) has the molecular formula C10H9F3O and a molecular weight of 202.17 g/mol. Its IUPAC name is (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
PubChem CID12755331
Molecular FormulaC10H9F3O
Molecular Weight202.17 g/mol
Exact Mass202.06
IUPAC Name(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol
SMILESO[C@H](/C=C/c1ccccc1)C(F)(F)F
InChIInChI=1S/C10H9F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7,9,14H/b7-6+/t9-/m1/s1
InChIKeyTWENPNDYVIPCRK-XCODYQFDSA-N
XLogP2.62
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.17
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The IUPAC name of (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol (CID 12755331) is (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol.
What is the SMILES notation for (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The canonical SMILES for (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is O[C@H](/C=C/c1ccccc1)C(F)(F)F.
What is the InChIKey of (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
The InChIKey is TWENPNDYVIPCRK-XCODYQFDSA-N. The full InChI is InChI=1S/C10H9F3O/c11-10(12,13)9(14)7-6-8-4-2-1-3-5-8/h1-7,9,14H/b7-6+/t9-/m1/s1.
What are the key properties of (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol?
(E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol has a molecular weight of 202.17 g/mol, XLogP of 2.62, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-1,1,1-trifluoro-4-phenylbut-3-en-2-ol is sourced from PubChem (CID 12755331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).