ethane;ethoxybenzene;toluene;trifluoromethylbenzene

C30H47F3O — CID 178055102

IUPACethane;ethoxybenzene;toluene;trifluoromethylbenzene
SMILESCC.CC.CC.CC.CCOc1ccccc1.Cc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C8H10O.C7H5F3.C7H8.4C2H6/c1-2-9-8-6-4-3-5-7-8;8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;4*1-2/h3-7H,2H2,1H3;1-5H;2-6H,1H3;4*1-2H3
InChIKeyNYFUEMAZHYVQAM-UHFFFAOYSA-N
MW480.70 g/mol
LogP10.89
Rot. Bonds2

About ethane;ethoxybenzene;toluene;trifluoromethylbenzene

ethane;ethoxybenzene;toluene;trifluoromethylbenzene (PubChem CID 178055102) has the molecular formula C30H47F3O and a molecular weight of 480.70 g/mol. Its IUPAC name is ethane;ethoxybenzene;toluene;trifluoromethylbenzene.

Molecular Properties

Compound Nameethane;ethoxybenzene;toluene;trifluoromethylbenzene
PubChem CID178055102
Molecular FormulaC30H47F3O
Molecular Weight480.70 g/mol
Exact Mass480.36
IUPAC Nameethane;ethoxybenzene;toluene;trifluoromethylbenzene
SMILESCC.CC.CC.CC.CCOc1ccccc1.Cc1ccccc1.FC(F)(F)c1ccccc1
InChIInChI=1S/C8H10O.C7H5F3.C7H8.4C2H6/c1-2-9-8-6-4-3-5-7-8;8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;4*1-2/h3-7H,2H2,1H3;1-5H;2-6H,1H3;4*1-2H3
InChIKeyNYFUEMAZHYVQAM-UHFFFAOYSA-N
XLogP10.89
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.70
LogP ≤ 510.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;toluene;trifluoromethylbenzene
CID 161105309
1-methyl-4-(trifluoromethyl)benzene;toluene
CID 159876070
ethoxybenzene chloride
CID 21193593
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-ethoxy-4-[2-[3-(trifluoromethyl)phenoxy]ethoxy]benzene
CID 2283088
ethoxybenzene tetrafluoroborate
CID 174807216
ethoxybenzene;molecular iodine
CID 67763605
ethoxybenzene;ethoxyethane
CID 67764259
1-(4-ethoxyphenyl)-1-phenylethanamine
CID 62787644
1-ethoxy-4-methylbenzene;1-fluoro-4-methylbenzene;methane;2-methoxy-1,4-dimethylbenzene;1-methoxy-4-methylbenzene;2-methylnaphthalene;1-methyl-4-phenylbenzene;1-methyl-4-(trifluoromethyl)benzene;toluene;1,4-xylene
CID 162225439
ethoxybenzene;propoxybenzene
CID 67747691
benzene;ethane;propane;toluene
CID 161363335

Frequently Asked Questions

What is the IUPAC name of ethane;ethoxybenzene;toluene;trifluoromethylbenzene?
The IUPAC name of ethane;ethoxybenzene;toluene;trifluoromethylbenzene (CID 178055102) is ethane;ethoxybenzene;toluene;trifluoromethylbenzene.
What is the SMILES notation for ethane;ethoxybenzene;toluene;trifluoromethylbenzene?
The canonical SMILES for ethane;ethoxybenzene;toluene;trifluoromethylbenzene is CC.CC.CC.CC.CCOc1ccccc1.Cc1ccccc1.FC(F)(F)c1ccccc1.
What is the InChIKey of ethane;ethoxybenzene;toluene;trifluoromethylbenzene?
The InChIKey is NYFUEMAZHYVQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O.C7H5F3.C7H8.4C2H6/c1-2-9-8-6-4-3-5-7-8;8-7(9,10)6-4-2-1-3-5-6;1-7-5-3-2-4-6-7;4*1-2/h3-7H,2H2,1H3;1-5H;2-6H,1H3;4*1-2H3.
What are the key properties of ethane;ethoxybenzene;toluene;trifluoromethylbenzene?
ethane;ethoxybenzene;toluene;trifluoromethylbenzene has a molecular weight of 480.70 g/mol, XLogP of 10.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethoxybenzene;toluene;trifluoromethylbenzene is sourced from PubChem (CID 178055102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).