2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol

C13H17F3O2 — CID 175409271

IUPAC2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-11(2,17)12(3,4)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,1-4H3
InChIKeyFFOSCVRUANMFOI-UHFFFAOYSA-N
MW262.27 g/mol
LogP3.63
Rot. Bonds3

About 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol

2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol (PubChem CID 175409271) has the molecular formula C13H17F3O2 and a molecular weight of 262.27 g/mol. Its IUPAC name is 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
PubChem CID175409271
Molecular FormulaC13H17F3O2
Molecular Weight262.27 g/mol
Exact Mass262.12
IUPAC Name2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol
SMILESCC(C)(O)C(C)(C)Oc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H17F3O2/c1-11(2,17)12(3,4)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,1-4H3
InChIKeyFFOSCVRUANMFOI-UHFFFAOYSA-N
XLogP3.63
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,1-difluoroethoxy)-4-(trifluoromethyl)benzene
CID 59933429
CID 175409260
CID 175409260
2,3-dimethyl-3-(4-propan-2-ylphenoxy)butan-2-ol
CID 175005292
2-methyl-2-[4-(trifluoromethyl)phenoxy]propanamide
CID 162567943
2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoic acid
CID 70356908
1-(2-methylpent-3-en-2-yloxy)-4-(trifluoromethyl)benzene
CID 173445400
boric acid;3-[4-(hydroxymethyl)phenoxy]-2,3-dimethylbutan-2-ol
CID 174970272
2-methyl-4-[4-(trifluoromethyl)phenoxy]butan-2-ol
CID 79361565
methyl 2-methyl-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanoate
CID 146594151
2,2-difluoro-2-[4-(trifluoromethyl)phenoxy]acetaldehyde
CID 174144064
(4-tert-butylphenyl) [4-(trifluoromethyl)phenyl] carbonate
CID 70424353
(2S)-2-[4-(trifluoromethyl)phenyl]butan-2-ol
CID 138977962

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol?
The IUPAC name of 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol (CID 175409271) is 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol?
The canonical SMILES for 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol is CC(C)(O)C(C)(C)Oc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol?
The InChIKey is FFOSCVRUANMFOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F3O2/c1-11(2,17)12(3,4)18-10-7-5-9(6-8-10)13(14,15)16/h5-8,17H,1-4H3.
What are the key properties of 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol?
2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol has a molecular weight of 262.27 g/mol, XLogP of 3.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-3-[4-(trifluoromethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 175409271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).