3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol

C7H13F3O2 — CID 21353311

IUPAC3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)OCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-3-5(2)12-4-6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyZCHOPXFOZBGDBB-UHFFFAOYSA-N
MW186.17 g/mol
LogP1.72
Rot. Bonds4

About 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol

3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol (PubChem CID 21353311) has the molecular formula C7H13F3O2 and a molecular weight of 186.17 g/mol. Its IUPAC name is 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
PubChem CID21353311
Molecular FormulaC7H13F3O2
Molecular Weight186.17 g/mol
Exact Mass186.09
IUPAC Name3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol
SMILESCCC(C)OCC(O)C(F)(F)F
InChIInChI=1S/C7H13F3O2/c1-3-5(2)12-4-6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3
InChIKeyZCHOPXFOZBGDBB-UHFFFAOYSA-N
XLogP1.72
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
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

1,3-di(butan-2-yloxy)propan-2-ol
CID 22072723
(3-butan-2-yloxy-2-hydroxypropyl)-trimethylazanium
CID 88878402
(3-butan-2-yloxy-2-hydroxypropyl) acetate
CID 134215732
3-butan-2-yloxy-2-ethoxypropanoic acid
CID 63074689
2-amino-3-butan-2-yloxypropan-1-ol
CID 64808148
1-chloro-1,1-difluoro-3-propan-2-yloxypropan-2-ol
CID 112575304
1,1,1-trifluorohexane-2,4-diol;hydrochloride
CID 174612779
butan-2-yl 2-(trifluoromethyl)prop-2-enoate
CID 91457010
2-[(3S)-1-butan-2-yloxy-3-hydroxybutan-2-yl]oxypropane-1,1-diol
CID 174078436
3-[3-(aminomethyl)pentan-3-yloxy]-1,1,1-trifluoropropan-2-ol
CID 65051244
3-butan-2-yloxy-N,N-diethyl-2-methylpropanamide
CID 89427274
(5,5,5-trifluoro-4-hydroxypentan-2-yl) 2,2-dimethylbutanoate
CID 59126267

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol (CID 21353311) is 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol is CCC(C)OCC(O)C(F)(F)F.
What is the InChIKey of 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol?
The InChIKey is ZCHOPXFOZBGDBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O2/c1-3-5(2)12-4-6(11)7(8,9)10/h5-6,11H,3-4H2,1-2H3.
What are the key properties of 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol?
3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol has a molecular weight of 186.17 g/mol, XLogP of 1.72, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yloxy-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 21353311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).