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

C11H13F3O2 — CID 10988179

IUPAC2-[3-(trifluoromethyl)phenoxy]butan-1-ol
SMILESCCC(CO)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3
InChIKeyHLDUFOVNFYCFAH-UHFFFAOYSA-N
MW234.22 g/mol
LogP2.86
Rot. Bonds4

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

2-[3-(trifluoromethyl)phenoxy]butan-1-ol (PubChem CID 10988179) has the molecular formula C11H13F3O2 and a molecular weight of 234.22 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenoxy]butan-1-ol.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenoxy]butan-1-ol
PubChem CID10988179
Molecular FormulaC11H13F3O2
Molecular Weight234.22 g/mol
Exact Mass234.09
IUPAC Name2-[3-(trifluoromethyl)phenoxy]butan-1-ol
SMILESCCC(CO)Oc1cccc(C(F)(F)F)c1
InChIInChI=1S/C11H13F3O2/c1-2-9(7-15)16-10-5-3-4-8(6-10)11(12,13)14/h3-6,9,15H,2,7H2,1H3
InChIKeyHLDUFOVNFYCFAH-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 2-[3-(trifluoromethyl)phenoxy]butan-1-ol?
The IUPAC name of 2-[3-(trifluoromethyl)phenoxy]butan-1-ol (CID 10988179) is 2-[3-(trifluoromethyl)phenoxy]butan-1-ol.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenoxy]butan-1-ol?
The canonical SMILES for 2-[3-(trifluoromethyl)phenoxy]butan-1-ol is CCC(CO)Oc1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenoxy]butan-1-ol?
The InChIKey is HLDUFOVNFYCFAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3O2/c1-2-9(7-15)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 2-[3-(trifluoromethyl)phenoxy]butan-1-ol?
2-[3-(trifluoromethyl)phenoxy]butan-1-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 2-[3-(trifluoromethyl)phenoxy]butan-1-ol is sourced from PubChem (CID 10988179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).