1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol

C13H15F3O3 — CID 167932975

IUPAC1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
SMILESOC1(COc2ccc(OCC(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)9-19-11-4-2-10(3-5-11)18-8-12(17)6-1-7-12/h2-5,17H,1,6-9H2
InChIKeyWRFYVSDEHUYJML-UHFFFAOYSA-N
MW276.25 g/mol
LogP2.92
Rot. Bonds5

About 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol

1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol (PubChem CID 167932975) has the molecular formula C13H15F3O3 and a molecular weight of 276.25 g/mol. Its IUPAC name is 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
PubChem CID167932975
Molecular FormulaC13H15F3O3
Molecular Weight276.25 g/mol
Exact Mass276.10
IUPAC Name1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol
SMILESOC1(COc2ccc(OCC(F)(F)F)cc2)CCC1
InChIInChI=1S/C13H15F3O3/c14-13(15,16)9-19-11-4-2-10(3-5-11)18-8-12(17)6-1-7-12/h2-5,17H,1,6-9H2
InChIKeyWRFYVSDEHUYJML-UHFFFAOYSA-N
XLogP2.92
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.25
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1-hydroxycyclobutyl)methyl]-3-[4-(2,2,2-trifluoroethoxy)phenyl]urea
CID 111437572
ethane;1-[[4-[[4-[(1-hydroxycyclobutyl)methoxy]phenyl]disulfanyl]phenoxy]methyl]cyclobutan-1-ol
CID 171804959
4-[(1-hydroxycyclopentyl)methoxy]benzaldehyde
CID 65210804
1-[(4-phenylphenoxy)methyl]cyclopentan-1-ol
CID 65212692
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
acetylene;1,4-bis(2,2,2-trifluoroethoxy)benzene;ethane
CID 143388365
4-[(1-hydroxycyclopentyl)methoxy]benzamide
CID 65212408
1-[[2-(trifluoromethyl)phenoxy]methyl]cyclohexan-1-ol
CID 65213996
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
CID 89284542
CID 89284542
1-pyrrolidin-1-yl-2-[4-(2,2,2-trifluoroethoxy)phenoxy]ethanone
CID 71996858
2-bromo-N-[[4-(2,2,2-trifluoroethoxy)phenyl]methyl]acetamide
CID 55257440

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol?
The IUPAC name of 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol (CID 167932975) is 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol is OC1(COc2ccc(OCC(F)(F)F)cc2)CCC1.
What is the InChIKey of 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol?
The InChIKey is WRFYVSDEHUYJML-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3O3/c14-13(15,16)9-19-11-4-2-10(3-5-11)18-8-12(17)6-1-7-12/h2-5,17H,1,6-9H2.
What are the key properties of 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol?
1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol has a molecular weight of 276.25 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(2,2,2-trifluoroethoxy)phenoxy]methyl]cyclobutan-1-ol is sourced from PubChem (CID 167932975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).