2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane

C49H112F5NO6 — CID 160613324

IUPAC2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C#N.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)OC1CC1.CCOC(C)C.CCOC(C)C.COC(C)C
InChIInChI=1S/C6H12O.2C5H12O.C4H7F3O.C4H8F2O.C4H7N.C4H10O.4C4H10.CH4/c1-5(2)7-6-3-4-6;2*1-4-6-5(2)3;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6;1-4(2)3-5;1-4(2)5-3;4*1-4(2)3;/h5-6H,3-4H2,1-2H3;2*5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,1-2H3;4H,1-3H3;4*4H,1-3H3;1H4
InChIKeyRFTKWJMOFAQASV-UHFFFAOYSA-N
MW906.43 g/mol
LogP17.49
Rot. Bonds10

About 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane

2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane (PubChem CID 160613324) has the molecular formula C49H112F5NO6 and a molecular weight of 906.43 g/mol. Its IUPAC name is 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane.

Molecular Properties

Compound Name2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane
PubChem CID160613324
Molecular FormulaC49H112F5NO6
Molecular Weight906.43 g/mol
Exact Mass905.84
IUPAC Name2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane
SMILESC.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C#N.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)OC1CC1.CCOC(C)C.CCOC(C)C.COC(C)C
InChIInChI=1S/C6H12O.2C5H12O.C4H7F3O.C4H8F2O.C4H7N.C4H10O.4C4H10.CH4/c1-5(2)7-6-3-4-6;2*1-4-6-5(2)3;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6;1-4(2)3-5;1-4(2)5-3;4*1-4(2)3;/h5-6H,3-4H2,1-2H3;2*5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,1-2H3;4H,1-3H3;4*4H,1-3H3;1H4
InChIKeyRFTKWJMOFAQASV-UHFFFAOYSA-N
XLogP17.49
TPSA79.17 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms61
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500906.43
LogP ≤ 517.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane?
The IUPAC name of 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane (CID 160613324) is 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane.
What is the SMILES notation for 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane?
The canonical SMILES for 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane is C.CC(C)C.CC(C)C.CC(C)C.CC(C)C.CC(C)C#N.CC(C)OC(F)(F)F.CC(C)OC(F)F.CC(C)OC1CC1.CCOC(C)C.CCOC(C)C.COC(C)C.
What is the InChIKey of 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane?
The InChIKey is RFTKWJMOFAQASV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O.2C5H12O.C4H7F3O.C4H8F2O.C4H7N.C4H10O.4C4H10.CH4/c1-5(2)7-6-3-4-6;2*1-4-6-5(2)3;1-3(2)8-4(5,6)7;1-3(2)7-4(5)6;1-4(2)3-5;1-4(2)5-3;4*1-4(2)3;/h5-6H,3-4H2,1-2H3;2*5H,4H2,1-3H3;3H,1-2H3;3-4H,1-2H3;4H,1-2H3;4H,1-3H3;4*4H,1-3H3;1H4.
What are the key properties of 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane?
2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane has a molecular weight of 906.43 g/mol, XLogP of 17.49, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)propane;bis(2-ethoxypropane);methane;2-methoxypropane;tetrakis(2-methylpropane);2-methylpropanenitrile;propan-2-yloxycyclopropane;2-(trifluoromethoxy)propane is sourced from PubChem (CID 160613324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).