1-[3-(trifluoromethyl)phenoxy]butan-2-ol

C11H13F3O2 — CID 11379302

IUPAC1-[3-(trifluoromethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3
InChIKeyLKDLJNRBLNAIDF-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.86
Rot. Bonds4

About 1-[3-(trifluoromethyl)phenoxy]butan-2-ol

1-[3-(trifluoromethyl)phenoxy]butan-2-ol (PubChem CID 11379302) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 1-[3-(trifluoromethyl)phenoxy]butan-2-ol.

Molecular Properties

Compound Name1-[3-(trifluoromethyl)phenoxy]butan-2-ol
PubChem CID11379302
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name1-[3-(trifluoromethyl)phenoxy]butan-2-ol
SMILESCCC(O)COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3
InChIKeyLKDLJNRBLNAIDF-UHFFFAOYSA-N
XLogP2.86
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-ol?
The IUPAC name of 1-[3-(trifluoromethyl)phenoxy]butan-2-ol (CID 11379302) is 1-[3-(trifluoromethyl)phenoxy]butan-2-ol.
What is the SMILES notation for 1-[3-(trifluoromethyl)phenoxy]butan-2-ol?
The canonical SMILES for 1-[3-(trifluoromethyl)phenoxy]butan-2-ol is CCC(O)COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 1-[3-(trifluoromethyl)phenoxy]butan-2-ol?
The InChIKey is LKDLJNRBLNAIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-9(15)7-16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3.
What are the key properties of 1-[3-(trifluoromethyl)phenoxy]butan-2-ol?
1-[3-(trifluoromethyl)phenoxy]butan-2-ol has a molecular weight of 234.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(trifluoromethyl)phenoxy]butan-2-ol is sourced from PubChem (CID 11379302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).