3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol

C9H16F2O3 — CID 107942627

IUPAC3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OCC(F)F
InChIInChI=1S/C9H16F2O3/c1-2-3-13-9-6(12)4-7(9)14-5-8(10)11/h6-9,12H,2-5H2,1H3
InChIKeyWFUYUVIVVROKPR-UHFFFAOYSA-N
MW210.22 g/mol
LogP1.20
Rot. Bonds6

About 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol

3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol (PubChem CID 107942627) has the molecular formula C9H16F2O3 and a molecular weight of 210.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
PubChem CID107942627
Molecular FormulaC9H16F2O3
Molecular Weight210.22 g/mol
Exact Mass210.11
IUPAC Name3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol
SMILESCCCOC1C(O)CC1OCC(F)F
InChIInChI=1S/C9H16F2O3/c1-2-3-13-9-6(12)4-7(9)14-5-8(10)11/h6-9,12H,2-5H2,1H3
InChIKeyWFUYUVIVVROKPR-UHFFFAOYSA-N
XLogP1.20
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.22
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-propoxy-3-(2-propoxyethoxy)cyclobutan-1-ol
CID 107942594
2-propoxy-3-(3,3,3-trifluoropropoxy)cyclobutan-1-ol
CID 107942629
3-(1-methoxypropan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942599
3-(3-methylbutan-2-yloxy)-2-propoxycyclobutan-1-ol
CID 107942618
3-[(2-methylpropan-2-yl)oxy]-2-propoxycyclobutan-1-ol
CID 107942520
2-propoxycyclopropan-1-ol
CID 174614862
3-(3,5-difluorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942588
3-cyclohexyloxy-2-propoxycyclobutan-1-ol
CID 107942480
3-(3,5-dichlorophenoxy)-2-propoxycyclobutan-1-ol
CID 107942554
3-(4-bromophenoxy)-2-propoxycyclobutan-1-ol
CID 114018846
3-(2,2-difluoroethoxy)-2-methoxy-N-propylcyclobutan-1-amine
CID 104674990
2-propoxy-3-(2,4,6-trichlorophenoxy)cyclobutan-1-ol
CID 107942525

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol?
The IUPAC name of 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol (CID 107942627) is 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol is CCCOC1C(O)CC1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol?
The InChIKey is WFUYUVIVVROKPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F2O3/c1-2-3-13-9-6(12)4-7(9)14-5-8(10)11/h6-9,12H,2-5H2,1H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol?
3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol has a molecular weight of 210.22 g/mol, XLogP of 1.20, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2-propoxycyclobutan-1-ol is sourced from PubChem (CID 107942627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).