3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

C7H13F3O2 — CID 167283767

IUPAC3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OC(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,3)12-5(4-11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyCPZNDYWIDLHWEO-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.72
Rot. Bonds2

About 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol

3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (PubChem CID 167283767) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.

Molecular Properties

Compound Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
PubChem CID167283767
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
SMILESCC(C)(C)OC(CO)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-6(2,3)12-5(4-11)7(8,9)10/h5,11H,4H2,1-3H3
InChIKeyCPZNDYWIDLHWEO-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.17
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 140910562
(2S,3S)-2-amino-4,4,4-trifluoro-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287985
(2S)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 3086386
2-amino-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 87381606
2-methyl-2-(1,2,2,2-tetrafluoroethoxy)propane
CID 161271475
3,3,3-trifluoro-2-methylpropan-1-ol
CID 10148993
3-amino-2-[(2-methylpropan-2-yl)oxy]pentan-1-ol
CID 104840592
3-(dimethylamino)-2-[(2-methylpropan-2-yl)oxy]propan-1-ol
CID 166770429
2-[(2-methylpropan-2-yl)oxy]pent-3-en-1-ol
CID 141066884
1,1,1-trifluoro-2-methoxy-4,4-dimethylpentane
CID 170375646
[1,1,1-trifluoro-3-[(2-methylpropan-2-yl)oxy]propan-2-yl] 2,2-dimethylpropanoate
CID 89221674
2-methoxy-2-methylpropane;2,2,2-trifluoroethanol
CID 156562872

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The IUPAC name of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol (CID 167283767) is 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol.
What is the SMILES notation for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The canonical SMILES for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is CC(C)(C)OC(CO)C(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
The InChIKey is CPZNDYWIDLHWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-6(2,3)12-5(4-11)7(8,9)10/h5,11H,4H2,1-3H3.
What are the key properties of 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol?
3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol has a molecular weight of 186.17 g/mol, XLogP of 1.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-[(2-methylpropan-2-yl)oxy]propan-1-ol is sourced from PubChem (CID 167283767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).