(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol

C12H10F6O — CID 143575574

IUPAC(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)CF
InChIInChI=1S/C12H10F6O/c13-7-11(14,15)10-6-9(12(16,17)18)4-3-8(10)2-1-5-19/h1-4,6,19H,5,7H2/b2-1+
InChIKeyBRUFGGBBIPVNOD-OWOJBTEDSA-N
MW284.20 g/mol
LogP3.77
Rot. Bonds4

About (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol

(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 143575574) has the molecular formula C12H10F6O and a molecular weight of 284.20 g/mol. Its IUPAC name is (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID143575574
Molecular FormulaC12H10F6O
Molecular Weight284.20 g/mol
Exact Mass284.06
IUPAC Name(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOC/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)CF
InChIInChI=1S/C12H10F6O/c13-7-11(14,15)10-6-9(12(16,17)18)4-3-8(10)2-1-5-19/h1-4,6,19H,5,7H2/b2-1+
InChIKeyBRUFGGBBIPVNOD-OWOJBTEDSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.20
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 143575574) is (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol is OC/C=C/c1ccc(C(F)(F)F)cc1C(F)(F)CF.
What is the InChIKey of (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is BRUFGGBBIPVNOD-OWOJBTEDSA-N. The full InChI is InChI=1S/C12H10F6O/c13-7-11(14,15)10-6-9(12(16,17)18)4-3-8(10)2-1-5-19/h1-4,6,19H,5,7H2/b2-1+.
What are the key properties of (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
(E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 284.20 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(1,1,2-trifluoroethyl)-4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 143575574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).