3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol

C13H16F2O3 — CID 107942588

IUPAC3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3
InChIKeyZYQGPHNGAOGAHY-UHFFFAOYSA-N
MW258.26 g/mol
LogP2.27
Rot. Bonds5

About 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol

3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942588) has the molecular formula C13H16F2O3 and a molecular weight of 258.26 g/mol. Its IUPAC name is 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942588
Molecular FormulaC13H16F2O3
Molecular Weight258.26 g/mol
Exact Mass258.11
IUPAC Name3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H16F2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3
InChIKeyZYQGPHNGAOGAHY-UHFFFAOYSA-N
XLogP2.27
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol (CID 107942588) is 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1Oc1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is ZYQGPHNGAOGAHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O3/c1-2-3-17-13-11(16)7-12(13)18-10-5-8(14)4-9(15)6-10/h4-6,11-13,16H,2-3,7H2,1H3.
What are the key properties of 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol?
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 258.26 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).