1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene

C19H18F6O — CID 141200659

IUPAC1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
SMILESFC(F)(F)c1cccc(CCCCCOc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F6O/c20-18(21,22)15-9-6-8-14(13-15)7-2-1-5-12-26-17-11-4-3-10-16(17)19(23,24)25/h3-4,6,8-11,13H,1-2,5,7,12H2
InChIKeyITYLQNPVEGFPSV-UHFFFAOYSA-N
MW376.34 g/mol
LogP6.52
Rot. Bonds7

About 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene

1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene (PubChem CID 141200659) has the molecular formula C19H18F6O and a molecular weight of 376.34 g/mol. Its IUPAC name is 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene.

Molecular Properties

Compound Name1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
PubChem CID141200659
Molecular FormulaC19H18F6O
Molecular Weight376.34 g/mol
Exact Mass376.13
IUPAC Name1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene
SMILESFC(F)(F)c1cccc(CCCCCOc2ccccc2C(F)(F)F)c1
InChIInChI=1S/C19H18F6O/c20-18(21,22)15-9-6-8-14(13-15)7-2-1-5-12-26-17-11-4-3-10-16(17)19(23,24)25/h3-4,6,8-11,13H,1-2,5,7,12H2
InChIKeyITYLQNPVEGFPSV-UHFFFAOYSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.34
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene?
The IUPAC name of 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene (CID 141200659) is 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene.
What is the SMILES notation for 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene?
The canonical SMILES for 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene is FC(F)(F)c1cccc(CCCCCOc2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene?
The InChIKey is ITYLQNPVEGFPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F6O/c20-18(21,22)15-9-6-8-14(13-15)7-2-1-5-12-26-17-11-4-3-10-16(17)19(23,24)25/h3-4,6,8-11,13H,1-2,5,7,12H2.
What are the key properties of 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene?
1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene has a molecular weight of 376.34 g/mol, XLogP of 6.52, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(trifluoromethyl)-2-[5-[3-(trifluoromethyl)phenyl]pentoxy]benzene is sourced from PubChem (CID 141200659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).