methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane

C9H19F3O2 — CID 162111882

IUPACmethane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
SMILESC.CC(C)=O.COC(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3O.C3H6O.CH4/c1-4(2,9-3)5(6,7)8;1-3(2)4;/h1-3H3;1-2H3;1H4
InChIKeyZGGKEWVLZPEJMK-UHFFFAOYSA-N
MW216.24 g/mol
LogP3.21
Rot. Bonds1

About methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane

methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane (PubChem CID 162111882) has the molecular formula C9H19F3O2 and a molecular weight of 216.24 g/mol. Its IUPAC name is methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane.

Molecular Properties

Compound Namemethane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
PubChem CID162111882
Molecular FormulaC9H19F3O2
Molecular Weight216.24 g/mol
Exact Mass216.13
IUPAC Namemethane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane
SMILESC.CC(C)=O.COC(C)(C)C(F)(F)F
InChIInChI=1S/C5H9F3O.C3H6O.CH4/c1-4(2,9-3)5(6,7)8;1-3(2)4;/h1-3H3;1-2H3;1H4
InChIKeyZGGKEWVLZPEJMK-UHFFFAOYSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,1,1-trifluoro-2-methoxy-2-methylpropane
CID 21360384
1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;propane;propan-2-one
CID 160787315
1-methoxyethane-1,1-diol;propan-2-one
CID 88831633
2,2-dimethylpropane;1,1,1,3,3,3-hexafluoro-2,2-dimethylpropane;methane;methoxymethane;methylsulfonylmethane;propan-2-one
CID 158159378
methane;(4-methoxy-2,3,3,4-tetramethylpentan-2-yl) acetate
CID 161446879
(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl) acetate;(1,1,1-trifluoro-2-methylpropan-2-yl) acetate
CID 160602540
(1,1,1-trifluoro-2-methylpropan-2-yl) 2,2-dimethylpropanoate
CID 130411404
2,2-difluoro-2-methoxyacetate
CID 164747737
bromo(trifluoro)methane;propan-2-one
CID 174337129
4,4,4-trifluoro-3-methoxy-3-methylbutanoic acid
CID 105441958
trifluoromethoxy (1,1,1-trifluoro-2-methylpropan-2-yl) carbonate
CID 157217399
methyl 2-methyl-2-(trifluoromethyl)butanoate
CID 20742589

Frequently Asked Questions

What is the IUPAC name of methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane?
The IUPAC name of methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane (CID 162111882) is methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane.
What is the SMILES notation for methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane?
The canonical SMILES for methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane is C.CC(C)=O.COC(C)(C)C(F)(F)F.
What is the InChIKey of methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane?
The InChIKey is ZGGKEWVLZPEJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F3O.C3H6O.CH4/c1-4(2,9-3)5(6,7)8;1-3(2)4;/h1-3H3;1-2H3;1H4.
What are the key properties of methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane?
methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane has a molecular weight of 216.24 g/mol, XLogP of 3.21, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methane;propan-2-one;1,1,1-trifluoro-2-methoxy-2-methylpropane is sourced from PubChem (CID 162111882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).