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

C16H13F3O — CID 68849939

IUPAC3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOCC=C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)14-8-6-13(7-9-14)15(10-11-20)12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyMATITPITBJUBAJ-UHFFFAOYSA-N
MW278.27 g/mol
LogP4.13
Rot. Bonds3

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

3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (PubChem CID 68849939) has the molecular formula C16H13F3O and a molecular weight of 278.27 g/mol. Its IUPAC name is 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.

Molecular Properties

Compound Name3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
PubChem CID68849939
Molecular FormulaC16H13F3O
Molecular Weight278.27 g/mol
Exact Mass278.09
IUPAC Name3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol
SMILESOCC=C(c1ccccc1)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H13F3O/c17-16(18,19)14-8-6-13(7-9-14)15(10-11-20)12-4-2-1-3-5-12/h1-10,20H,11H2
InChIKeyMATITPITBJUBAJ-UHFFFAOYSA-N
XLogP4.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The IUPAC name of 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol (CID 68849939) is 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol.
What is the SMILES notation for 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The canonical SMILES for 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is OCC=C(c1ccccc1)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
The InChIKey is MATITPITBJUBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3O/c17-16(18,19)14-8-6-13(7-9-14)15(10-11-20)12-4-2-1-3-5-12/h1-10,20H,11H2.
What are the key properties of 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol?
3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol has a molecular weight of 278.27 g/mol, XLogP of 4.13, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-3-[4-(trifluoromethyl)phenyl]prop-2-en-1-ol is sourced from PubChem (CID 68849939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).