ethane;bis(trifluoromethylbenzene)

C16H16F6 — CID 142912000

IUPACethane;bis(trifluoromethylbenzene)
SMILESCC.FC(F)(F)c1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/2C7H5F3.C2H6/c2*8-7(9,10)6-4-2-1-3-5-6;1-2/h2*1-5H;1-2H3
InChIKeyAUVXFOVDYSQBIM-UHFFFAOYSA-N
MW322.29 g/mol
LogP6.44
Rot. Bonds

About ethane;bis(trifluoromethylbenzene)

ethane;bis(trifluoromethylbenzene) (PubChem CID 142912000) has the molecular formula C16H16F6 and a molecular weight of 322.29 g/mol. Its IUPAC name is ethane;bis(trifluoromethylbenzene).

Molecular Properties

Compound Nameethane;bis(trifluoromethylbenzene)
PubChem CID142912000
Molecular FormulaC16H16F6
Molecular Weight322.29 g/mol
Exact Mass322.12
IUPAC Nameethane;bis(trifluoromethylbenzene)
SMILESCC.FC(F)(F)c1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/2C7H5F3.C2H6/c2*8-7(9,10)6-4-2-1-3-5-6;1-2/h2*1-5H;1-2H3
InChIKeyAUVXFOVDYSQBIM-UHFFFAOYSA-N
XLogP6.44
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.29
LogP ≤ 56.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

trifluoromethylbenzene;dihydrochloride
CID 171928889
phosphane;trifluoromethylbenzene
CID 175486194
ethane;toluene;trifluoromethylbenzene
CID 161105309
1-[bromo(diphenyl)methyl]-4-(trifluoromethyl)benzene
CID 154308793
chlorobenzene;trifluoromethylbenzene
CID 159341337
ethane;methylcyclopentane;trifluoromethylbenzene
CID 143867816
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
diphenyl-[4-(trifluoromethyl)phenyl]methanol
CID 569997
phenylsulfanylbenzene;trifluoromethylbenzene
CID 171924180
azidomethane;trifluoromethylbenzene
CID 175515573
2-methylprop-2-enoic acid;trifluoromethylbenzene
CID 175145896
1,1-difluoroethylbenzene
CID 10942535

Frequently Asked Questions

What is the IUPAC name of ethane;bis(trifluoromethylbenzene)?
The IUPAC name of ethane;bis(trifluoromethylbenzene) (CID 142912000) is ethane;bis(trifluoromethylbenzene).
What is the SMILES notation for ethane;bis(trifluoromethylbenzene)?
The canonical SMILES for ethane;bis(trifluoromethylbenzene) is CC.FC(F)(F)c1ccccc1.FC(F)(F)c1ccccc1.
What is the InChIKey of ethane;bis(trifluoromethylbenzene)?
The InChIKey is AUVXFOVDYSQBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H5F3.C2H6/c2*8-7(9,10)6-4-2-1-3-5-6;1-2/h2*1-5H;1-2H3.
What are the key properties of ethane;bis(trifluoromethylbenzene)?
ethane;bis(trifluoromethylbenzene) has a molecular weight of 322.29 g/mol, XLogP of 6.44, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;bis(trifluoromethylbenzene) is sourced from PubChem (CID 142912000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).