benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane

C26H42F10O4 — CID 161070147

IUPACbenzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane
SMILESCC(=C(F)F)C(F)(F)F.CF.COC.COC.COC.COC.FC(F)(F)F.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C4H3F5.4C2H6O.CF4.CH3F/c2*1-2-4-6-5-3-1;1-2(3(5)6)4(7,8)9;4*1-3-2;2-1(3,4)5;1-2/h2*1-6H;1H3;4*1-2H3;;1H3
InChIKeyUENYCMAIYXPLFM-UHFFFAOYSA-N
MW608.60 g/mol
LogP9.20
Rot. Bonds

About benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane

benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane (PubChem CID 161070147) has the molecular formula C26H42F10O4 and a molecular weight of 608.60 g/mol. Its IUPAC name is benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane.

Molecular Properties

Compound Namebenzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane
PubChem CID161070147
Molecular FormulaC26H42F10O4
Molecular Weight608.60 g/mol
Exact Mass608.29
IUPAC Namebenzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane
SMILESCC(=C(F)F)C(F)(F)F.CF.COC.COC.COC.COC.FC(F)(F)F.c1ccccc1.c1ccccc1
InChIInChI=1S/2C6H6.C4H3F5.4C2H6O.CF4.CH3F/c2*1-2-4-6-5-3-1;1-2(3(5)6)4(7,8)9;4*1-3-2;2-1(3,4)5;1-2/h2*1-6H;1H3;4*1-2H3;;1H3
InChIKeyUENYCMAIYXPLFM-UHFFFAOYSA-N
XLogP9.20
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.60
LogP ≤ 59.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane?
The IUPAC name of benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane (CID 161070147) is benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane.
What is the SMILES notation for benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane?
The canonical SMILES for benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane is CC(=C(F)F)C(F)(F)F.CF.COC.COC.COC.COC.FC(F)(F)F.c1ccccc1.c1ccccc1.
What is the InChIKey of benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane?
The InChIKey is UENYCMAIYXPLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6.C4H3F5.4C2H6O.CF4.CH3F/c2*1-2-4-6-5-3-1;1-2(3(5)6)4(7,8)9;4*1-3-2;2-1(3,4)5;1-2/h2*1-6H;1H3;4*1-2H3;;1H3.
What are the key properties of benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane?
benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane has a molecular weight of 608.60 g/mol, XLogP of 9.20, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;fluoromethane;methoxymethane;1,1,3,3,3-pentafluoro-2-methylprop-1-ene;tetrafluoromethane is sourced from PubChem (CID 161070147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).