1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene

C14H8F6 — CID 90465484

IUPAC1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene
SMILESCC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H8F6/c1-6(7-2-9(15)13(19)10(16)3-7)8-4-11(17)14(20)12(18)5-8/h2-6H,1H3
InChIKeyZZHCCUDANVGLFY-UHFFFAOYSA-N
MW290.21 g/mol
LogP4.67
Rot. Bonds2

About 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene

1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene (PubChem CID 90465484) has the molecular formula C14H8F6 and a molecular weight of 290.21 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene
PubChem CID90465484
Molecular FormulaC14H8F6
Molecular Weight290.21 g/mol
Exact Mass290.05
IUPAC Name1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene
SMILESCC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C14H8F6/c1-6(7-2-9(15)13(19)10(16)3-7)8-4-11(17)14(20)12(18)5-8/h2-6H,1H3
InChIKeyZZHCCUDANVGLFY-UHFFFAOYSA-N
XLogP4.67
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.21
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

ethane;2-(3,4,5-trifluorophenyl)propan-1-ol
CID 143774717
2-fluoro-4-[1-(3-fluoro-4-methylphenyl)ethyl]-1-methylbenzene
CID 145113474
(4-propan-2-ylphenyl)-(3,4,5-trifluorophenyl)methanamine
CID 62801900
(1S)-3-methyl-1-(3,4,5-trifluorophenyl)butan-1-amine;hydrochloride
CID 171225399
(1S)-4-methyl-1-(3,4,5-trifluorophenyl)pentan-1-amine
CID 171225417
(1S)-1-(3,4,5-trifluorophenyl)propan-1-amine
CID 55255857
4-methyl-2-(3,4,5-trifluorophenyl)pentan-1-ol
CID 143774737
1-(2,3-difluoro-5-propan-2-ylphenyl)ethanamine
CID 117288734
N-[1-(3,4,5-trifluorophenyl)ethyl]but-2-yn-1-amine
CID 115897017
cumene;1-fluoro-4-propan-2-ylbenzene;1,2,3-trifluoro-5-propan-2-ylbenzene
CID 159517026
2-[1-(3,4,5-trifluorophenyl)ethylamino]propan-1-ol
CID 115724755
(1R)-2-fluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 124707183

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene (CID 90465484) is 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene is CC(c1cc(F)c(F)c(F)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene?
The InChIKey is ZZHCCUDANVGLFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F6/c1-6(7-2-9(15)13(19)10(16)3-7)8-4-11(17)14(20)12(18)5-8/h2-6H,1H3.
What are the key properties of 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene?
1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene has a molecular weight of 290.21 g/mol, XLogP of 4.67, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[1-(3,4,5-trifluorophenyl)ethyl]benzene is sourced from PubChem (CID 90465484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).