(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol

C10H8F4O — CID 155931170

IUPAC(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-8-4-2-1-3-7(8)5-6-9(15)10(12,13)14/h1-6,9,15H/b6-5+
InChIKeyORLSSVVSXJQTSR-AATRIKPKSA-N
MW220.16 g/mol
LogP2.76
Rot. Bonds2

About (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol

(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol (PubChem CID 155931170) has the molecular formula C10H8F4O and a molecular weight of 220.16 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol
PubChem CID155931170
Molecular FormulaC10H8F4O
Molecular Weight220.16 g/mol
Exact Mass220.05
IUPAC Name(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol
SMILESOC(/C=C/c1ccccc1F)C(F)(F)F
InChIInChI=1S/C10H8F4O/c11-8-4-2-1-3-7(8)5-6-9(15)10(12,13)14/h1-6,9,15H/b6-5+
InChIKeyORLSSVVSXJQTSR-AATRIKPKSA-N
XLogP2.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.16
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol?
The IUPAC name of (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol (CID 155931170) is (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol.
What is the SMILES notation for (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol?
The canonical SMILES for (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol is OC(/C=C/c1ccccc1F)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol?
The InChIKey is ORLSSVVSXJQTSR-AATRIKPKSA-N. The full InChI is InChI=1S/C10H8F4O/c11-8-4-2-1-3-7(8)5-6-9(15)10(12,13)14/h1-6,9,15H/b6-5+.
What are the key properties of (E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol?
(E)-1,1,1-trifluoro-4-(2-fluorophenyl)but-3-en-2-ol has a molecular weight of 220.16 g/mol, XLogP of 2.76, 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-4-(2-fluorophenyl)but-3-en-2-ol is sourced from PubChem (CID 155931170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).