2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol

C14H17F3O3 — CID 107942467

IUPAC2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-2-7-19-13-10(18)8-12(13)20-11-6-4-3-5-9(11)14(15,16)17/h3-6,10,12-13,18H,2,7-8H2,1H3
InChIKeyHGZZZETVUQIWKK-UHFFFAOYSA-N
MW290.28 g/mol
LogP3.01
Rot. Bonds5

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

2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol (PubChem CID 107942467) has the molecular formula C14H17F3O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol.

Molecular Properties

Compound Name2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
PubChem CID107942467
Molecular FormulaC14H17F3O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1ccccc1C(F)(F)F
InChIInChI=1S/C14H17F3O3/c1-2-7-19-13-10(18)8-12(13)20-11-6-4-3-5-9(11)14(15,16)17/h3-6,10,12-13,18H,2,7-8H2,1H3
InChIKeyHGZZZETVUQIWKK-UHFFFAOYSA-N
XLogP3.01
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The IUPAC name of 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol (CID 107942467) is 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol.
What is the SMILES notation for 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The canonical SMILES for 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol is CCCOC1C(O)CC1Oc1ccccc1C(F)(F)F.
What is the InChIKey of 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
The InChIKey is HGZZZETVUQIWKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3O3/c1-2-7-19-13-10(18)8-12(13)20-11-6-4-3-5-9(11)14(15,16)17/h3-6,10,12-13,18H,2,7-8H2,1H3.
What are the key properties of 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol?
2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol has a molecular weight of 290.28 g/mol, XLogP of 3.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propoxy-3-[2-(trifluoromethyl)phenoxy]cyclobutan-1-ol is sourced from PubChem (CID 107942467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).