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'}

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Related Compounds

2-amino-2-[2-[3-(trifluoromethyl)-4-[3-[3-(trifluoromethyl)phenyl]propoxy]phenyl]ethyl]propane-1,3-diol;hydrochloride
CID 86761511
6-[3-(trifluoromethyl)phenyl]hexanenitrile
CID 54276066
3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 18755618
tripropoxy-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 90174032
2-[3-(trifluoromethyl)phenyl]ethyl hypochlorite
CID 70887141
[2-amino-2-[5-[3-(trifluoromethyl)-4-[5-[3-(trifluoromethyl)phenyl]pentoxy]phenyl]-1,3,4-thiadiazol-2-yl]ethyl] dihydrogen phosphite
CID 143622492
N-methyl-5-[2-(trifluoromethyl)phenoxy]pentan-1-amine
CID 62451818
diethyl-[6-[3-(trifluoromethyl)phenyl]hexyl]silane
CID 162621887
diethyl-methoxy-[5-[3-(trifluoromethyl)phenyl]pentyl]silane
CID 90172777
CID 90171829
CID 90171829
2-amino-2-[5-[3-(trifluoromethyl)-4-[4-[3-(trifluoromethyl)phenyl]butoxy]phenyl]-1,3,4-thiadiazol-2-yl]ethanol
CID 143622472
dihydroxy-methoxy-[3-[3-(trifluoromethyl)phenyl]propyl]silane
CID 90173460

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).