1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene

C16H13F5 — CID 91612043

IUPAC1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene
SMILESFC(F)Cc1ccc(-c2cccc(CC(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F5/c17-15(18)9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-16(19,20)21/h1-8,15H,9-10H2
InChIKeyJMNHCAOKUDUYCM-UHFFFAOYSA-N
MW300.27 g/mol
LogP5.27
Rot. Bonds4

About 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene

1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene (PubChem CID 91612043) has the molecular formula C16H13F5 and a molecular weight of 300.27 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene
PubChem CID91612043
Molecular FormulaC16H13F5
Molecular Weight300.27 g/mol
Exact Mass300.09
IUPAC Name1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene
SMILESFC(F)Cc1ccc(-c2cccc(CC(F)(F)F)c2)cc1
InChIInChI=1S/C16H13F5/c17-15(18)9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-16(19,20)21/h1-8,15H,9-10H2
InChIKeyJMNHCAOKUDUYCM-UHFFFAOYSA-N
XLogP5.27
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.27
LogP ≤ 55.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene?
The IUPAC name of 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene (CID 91612043) is 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene.
What is the SMILES notation for 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene?
The canonical SMILES for 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene is FC(F)Cc1ccc(-c2cccc(CC(F)(F)F)c2)cc1.
What is the InChIKey of 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene?
The InChIKey is JMNHCAOKUDUYCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F5/c17-15(18)9-11-4-6-13(7-5-11)14-3-1-2-12(8-14)10-16(19,20)21/h1-8,15H,9-10H2.
What are the key properties of 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene?
1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene has a molecular weight of 300.27 g/mol, XLogP of 5.27, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-4-[3-(2,2,2-trifluoroethyl)phenyl]benzene is sourced from PubChem (CID 91612043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).