2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane

C19H17F3O2 — CID 10042493

IUPAC2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane
SMILESC/C(=C\c1ccccc1C(F)(F)F)C1(c2ccccc2)OCCO1
InChIInChI=1S/C19H17F3O2/c1-14(13-15-7-5-6-10-17(15)19(20,21)22)18(23-11-12-24-18)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3/b14-13+
InChIKeyRJHQEKOZDQENBP-BUHFOSPRSA-N
MW334.34 g/mol
LogP5.01
Rot. Bonds3

About 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane

2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane (PubChem CID 10042493) has the molecular formula C19H17F3O2 and a molecular weight of 334.34 g/mol. Its IUPAC name is 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane.

Molecular Properties

Compound Name2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane
PubChem CID10042493
Molecular FormulaC19H17F3O2
Molecular Weight334.34 g/mol
Exact Mass334.12
IUPAC Name2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane
SMILESC/C(=C\c1ccccc1C(F)(F)F)C1(c2ccccc2)OCCO1
InChIInChI=1S/C19H17F3O2/c1-14(13-15-7-5-6-10-17(15)19(20,21)22)18(23-11-12-24-18)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3/b14-13+
InChIKeyRJHQEKOZDQENBP-BUHFOSPRSA-N
XLogP5.01
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.34
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane?
The IUPAC name of 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane (CID 10042493) is 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane.
What is the SMILES notation for 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane?
The canonical SMILES for 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane is C/C(=C\c1ccccc1C(F)(F)F)C1(c2ccccc2)OCCO1.
What is the InChIKey of 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane?
The InChIKey is RJHQEKOZDQENBP-BUHFOSPRSA-N. The full InChI is InChI=1S/C19H17F3O2/c1-14(13-15-7-5-6-10-17(15)19(20,21)22)18(23-11-12-24-18)16-8-3-2-4-9-16/h2-10,13H,11-12H2,1H3/b14-13+.
What are the key properties of 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane?
2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane has a molecular weight of 334.34 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2-[(E)-1-[2-(trifluoromethyl)phenyl]prop-1-en-2-yl]-1,3-dioxolane is sourced from PubChem (CID 10042493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).