1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane

C7H10F6O — CID 130434954

IUPAC1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
SMILESCCC(C)(OC(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-6(2,7(11,12)13)14-5(10)4(8)9/h4-5H,3H2,1-2H3
InChIKeyJIVIEOZJJOYXLY-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.29
Rot. Bonds4

About 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane

1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane (PubChem CID 130434954) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane.

Molecular Properties

Compound Name1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
PubChem CID130434954
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane
SMILESCCC(C)(OC(F)C(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-6(2,7(11,12)13)14-5(10)4(8)9/h4-5H,3H2,1-2H3
InChIKeyJIVIEOZJJOYXLY-UHFFFAOYSA-N
XLogP3.29
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(1,1,1-trifluoro-2-methylbutan-2-yl) formate
CID 162773826
1,1,2,2-tetrafluoro-3-iodo-1-(1,2,2-trifluoroethoxy)propane
CID 170556920
2-(difluoromethoxy)-2-methylbutan-1-amine
CID 65053075
3-chloro-1,1,1-trifluoro-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-2-methylpropane
CID 163434337
1-fluoro-1-(1,1,2,2,2-pentafluoroethoxy)propane
CID 174963973
3,3,3-trifluoro-2-methyl-2-[(2-methylpropan-2-yl)oxy]propan-1-amine
CID 84668780
2-fluoropropane;methoxymethane;propane;1,1,1-trifluoroethane
CID 165044243
2-methyl-2-(1,2,2,2-tetrafluoroethoxy)propane
CID 161271475
3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
1,1-difluoro-2,2-dimethyl-1-propan-2-yloxybutane
CID 129234675
3,5-diethyl-3,4-dimethyl-4-(trifluoromethyl)heptane
CID 166589252
1,1-difluoro-1-propan-2-yloxypropane
CID 154670708

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane?
The IUPAC name of 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane (CID 130434954) is 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane.
What is the SMILES notation for 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane?
The canonical SMILES for 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane is CCC(C)(OC(F)C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane?
The InChIKey is JIVIEOZJJOYXLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-6(2,7(11,12)13)14-5(10)4(8)9/h4-5H,3H2,1-2H3.
What are the key properties of 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane?
1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane has a molecular weight of 224.14 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-2-methyl-2-(1,2,2-trifluoroethoxy)butane is sourced from PubChem (CID 130434954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).