2,2,3-trifluoropropyl 3-(dibutylamino)propanoate

C14H26F3NO2 — CID 140525709

IUPAC2,2,3-trifluoropropyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)CF
InChIInChI=1S/C14H26F3NO2/c1-3-5-8-18(9-6-4-2)10-7-13(19)20-12-14(16,17)11-15/h3-12H2,1-2H3
InChIKeyJYZPRJPYCOMDHH-UHFFFAOYSA-N
MW297.36 g/mol
LogP3.43
Rot. Bonds12

About 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate

2,2,3-trifluoropropyl 3-(dibutylamino)propanoate (PubChem CID 140525709) has the molecular formula C14H26F3NO2 and a molecular weight of 297.36 g/mol. Its IUPAC name is 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate.

Molecular Properties

Compound Name2,2,3-trifluoropropyl 3-(dibutylamino)propanoate
PubChem CID140525709
Molecular FormulaC14H26F3NO2
Molecular Weight297.36 g/mol
Exact Mass297.19
IUPAC Name2,2,3-trifluoropropyl 3-(dibutylamino)propanoate
SMILESCCCCN(CCCC)CCC(=O)OCC(F)(F)CF
InChIInChI=1S/C14H26F3NO2/c1-3-5-8-18(9-6-4-2)10-7-13(19)20-12-14(16,17)11-15/h3-12H2,1-2H3
InChIKeyJYZPRJPYCOMDHH-UHFFFAOYSA-N
XLogP3.43
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate?
The IUPAC name of 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate (CID 140525709) is 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate.
What is the SMILES notation for 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate?
The canonical SMILES for 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate is CCCCN(CCCC)CCC(=O)OCC(F)(F)CF.
What is the InChIKey of 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate?
The InChIKey is JYZPRJPYCOMDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26F3NO2/c1-3-5-8-18(9-6-4-2)10-7-13(19)20-12-14(16,17)11-15/h3-12H2,1-2H3.
What are the key properties of 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate?
2,2,3-trifluoropropyl 3-(dibutylamino)propanoate has a molecular weight of 297.36 g/mol, XLogP of 3.43, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trifluoropropyl 3-(dibutylamino)propanoate is sourced from PubChem (CID 140525709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).