(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane

C13H25F3O — CID 169306079

IUPAC(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane
SMILESCC(C)(C)CO[C@@](C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3O/c1-10(2,3)8-12(7,13(14,15)16)17-9-11(4,5)6/h8-9H2,1-7H3/t12-/m0/s1
InChIKeyVNYCUQZZLXYAHO-LBPRGKRZSA-N
MW254.34 g/mol
LogP4.81
Rot. Bonds3

About (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane

(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane (PubChem CID 169306079) has the molecular formula C13H25F3O and a molecular weight of 254.34 g/mol. Its IUPAC name is (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane.

Molecular Properties

Compound Name(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane
PubChem CID169306079
Molecular FormulaC13H25F3O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane
SMILESCC(C)(C)CO[C@@](C)(CC(C)(C)C)C(F)(F)F
InChIInChI=1S/C13H25F3O/c1-10(2,3)8-12(7,13(14,15)16)17-9-11(4,5)6/h8-9H2,1-7H3/t12-/m0/s1
InChIKeyVNYCUQZZLXYAHO-LBPRGKRZSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,1-trifluoro-2,4-dimethyl-2-(2,2,2-trifluoroethoxy)pentane
CID 159890028
1,1,1-trideuterio-2-(2,2-dimethylpropoxy)-2,4,4-trimethylpentane
CID 169305886
2,2-dimethyl-1-[(2-methylpropan-2-yl)oxy]propane;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
CID 157208820
3,3,3-trifluoro-2-methoxy-N,2-dimethylpropan-1-amine
CID 105434677
2,2,3,3-tetrafluoro-5,5-dimethylhexane
CID 88592335
[2-(2,2-dimethylpropoxymethoxy)-3,3,3-trifluoro-2-methylpropyl] 2,2-dimethylbutanoate
CID 122663945
2,2,4,5-tetramethyl-4-(trifluoromethyl)hexane
CID 162570154
3,3,3-trifluoro-2-methoxy-2-methylpropan-1-ol
CID 102380901
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-tricosafluoro-13,13-dimethyltetradecane
CID 167303631
2,2,4-trimethyl-4-[1,1,2,2-tetrafluoro-2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyethoxy]pentane
CID 134576174
2-methyl-2-(2,2,2-trifluoroethoxy)propane
CID 13351891
2-(2,2-difluoropropoxy)-2-methylpropane
CID 88885864

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane?
The IUPAC name of (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane (CID 169306079) is (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane.
What is the SMILES notation for (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane?
The canonical SMILES for (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane is CC(C)(C)CO[C@@](C)(CC(C)(C)C)C(F)(F)F.
What is the InChIKey of (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane?
The InChIKey is VNYCUQZZLXYAHO-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H25F3O/c1-10(2,3)8-12(7,13(14,15)16)17-9-11(4,5)6/h8-9H2,1-7H3/t12-/m0/s1.
What are the key properties of (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane?
(2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane has a molecular weight of 254.34 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(2,2-dimethylpropoxy)-1,1,1-trifluoro-2,4,4-trimethylpentane is sourced from PubChem (CID 169306079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).