methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate

C10H15F3O3 — CID 103272840

IUPACmethyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C10H15F3O3/c1-15-8(14)7-9(3-2-4-9)16-6-5-10(11,12)13/h2-7H2,1H3
InChIKeyBREHSRKFFUNPOG-UHFFFAOYSA-N
MW240.22 g/mol
LogP2.44
Rot. Bonds5

About methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate

methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate (PubChem CID 103272840) has the molecular formula C10H15F3O3 and a molecular weight of 240.22 g/mol. Its IUPAC name is methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate.

Molecular Properties

Compound Namemethyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate
PubChem CID103272840
Molecular FormulaC10H15F3O3
Molecular Weight240.22 g/mol
Exact Mass240.10
IUPAC Namemethyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate
SMILESCOC(=O)CC1(OCCC(F)(F)F)CCC1
InChIInChI=1S/C10H15F3O3/c1-15-8(14)7-9(3-2-4-9)16-6-5-10(11,12)13/h2-7H2,1H3
InChIKeyBREHSRKFFUNPOG-UHFFFAOYSA-N
XLogP2.44
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 52.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate?
The IUPAC name of methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate (CID 103272840) is methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate.
What is the SMILES notation for methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate?
The canonical SMILES for methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate is COC(=O)CC1(OCCC(F)(F)F)CCC1.
What is the InChIKey of methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate?
The InChIKey is BREHSRKFFUNPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3O3/c1-15-8(14)7-9(3-2-4-9)16-6-5-10(11,12)13/h2-7H2,1H3.
What are the key properties of methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate?
methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate has a molecular weight of 240.22 g/mol, XLogP of 2.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[1-(3,3,3-trifluoropropoxy)cyclobutyl]acetate is sourced from PubChem (CID 103272840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).