2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol

C12H15F11O2 — CID 89228519

IUPAC2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F
InChIInChI=1S/C12H15F11O2/c1-6(2,13)9(15,11(19,20)21)12(22,23)25-7(3,4)8(14,5-24)10(16,17)18/h24H,5H2,1-4H3/t8?,9-/m0/s1
InChIKeyZRCFYRCOAWQEOX-GKAPJAKFSA-N
MW400.23 g/mol
LogP4.66
Rot. Bonds6

About 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol

2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol (PubChem CID 89228519) has the molecular formula C12H15F11O2 and a molecular weight of 400.23 g/mol. Its IUPAC name is 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol.

Molecular Properties

Compound Name2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol
PubChem CID89228519
Molecular FormulaC12H15F11O2
Molecular Weight400.23 g/mol
Exact Mass400.09
IUPAC Name2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol
SMILESCC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F
InChIInChI=1S/C12H15F11O2/c1-6(2,13)9(15,11(19,20)21)12(22,23)25-7(3,4)8(14,5-24)10(16,17)18/h24H,5H2,1-4H3/t8?,9-/m0/s1
InChIKeyZRCFYRCOAWQEOX-GKAPJAKFSA-N
XLogP4.66
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.23
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,1-Trifluoro-4-methoxy-2-methylbutan-2-ol
CID 56828427
(2R)-4,4,4-trifluoro-2-methyl-3-(trifluoromethyl)butane-1,3-diol
CID 10585311
3-Methoxy-3-methyl-2-(trifluoromethyl)butan-1-ol
CID 21811431
4,4,4-Trifluoro-2-methyl-3-(trifluoromethyl)butane-1,3-diol
CID 57009056
3,3,4-Trifluoro-4-(1,1,2,2,3,3,3-heptafluoropropoxy)-2-methylbutan-2-ol
CID 57740572
2,2-Bis[[1,1,1,3,3,3-hexafluoro-2-(trifluoromethyl)propan-2-yl]oxymethyl]butan-1-ol
CID 57912303
4,4,4-Trifluoro-3-methylbutane-1,3-diol
CID 59000326
4-Butan-2-yloxy-2-(difluoromethyl)-1,1,1,3,3,5,5,5-octafluoropentan-2-ol
CID 59169351
(2S,3S)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287962
(2R,3R)-4,4,4-trifluoro-2-methyl-3-[(2-methylpropan-2-yl)oxy]butan-1-ol
CID 59287980
4-Butan-2-yloxy-1,1,1,3,3-pentafluorobutan-2-ol
CID 59752410
1,1,1,3,3-Pentafluoro-4-(2-methylbutoxy)butan-2-ol
CID 59752413

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol?
The IUPAC name of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol (CID 89228519) is 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol.
What is the SMILES notation for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol?
The canonical SMILES for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol is CC(C)(OC(F)(F)[C@](F)(C(C)(C)F)C(F)(F)F)C(F)(CO)C(F)(F)F.
What is the InChIKey of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol?
The InChIKey is ZRCFYRCOAWQEOX-GKAPJAKFSA-N. The full InChI is InChI=1S/C12H15F11O2/c1-6(2,13)9(15,11(19,20)21)12(22,23)25-7(3,4)8(14,5-24)10(16,17)18/h24H,5H2,1-4H3/t8?,9-/m0/s1.
What are the key properties of 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol?
2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol has a molecular weight of 400.23 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-3-[(2R)-1,1,2,3-tetrafluoro-3-methyl-2-(trifluoromethyl)butoxy]-2-(trifluoromethyl)butan-1-ol is sourced from PubChem (CID 89228519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).