2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate

C11H21F2NO3 — CID 87332475

IUPAC2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate
SMILESCCN(C(C)C)C(C)COC(=O)COC(F)F
InChIInChI=1S/C11H21F2NO3/c1-5-14(8(2)3)9(4)6-16-10(15)7-17-11(12)13/h8-9,11H,5-7H2,1-4H3
InChIKeyFKHYPRPHDZBLLX-UHFFFAOYSA-N
MW253.29 g/mol
LogP1.89
Rot. Bonds8

About 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate

2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate (PubChem CID 87332475) has the molecular formula C11H21F2NO3 and a molecular weight of 253.29 g/mol. Its IUPAC name is 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate.

Molecular Properties

Compound Name2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate
PubChem CID87332475
Molecular FormulaC11H21F2NO3
Molecular Weight253.29 g/mol
Exact Mass253.15
IUPAC Name2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate
SMILESCCN(C(C)C)C(C)COC(=O)COC(F)F
InChIInChI=1S/C11H21F2NO3/c1-5-14(8(2)3)9(4)6-16-10(15)7-17-11(12)13/h8-9,11H,5-7H2,1-4H3
InChIKeyFKHYPRPHDZBLLX-UHFFFAOYSA-N
XLogP1.89
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.29
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate?
The IUPAC name of 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate (CID 87332475) is 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate.
What is the SMILES notation for 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate?
The canonical SMILES for 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate is CCN(C(C)C)C(C)COC(=O)COC(F)F.
What is the InChIKey of 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate?
The InChIKey is FKHYPRPHDZBLLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO3/c1-5-14(8(2)3)9(4)6-16-10(15)7-17-11(12)13/h8-9,11H,5-7H2,1-4H3.
What are the key properties of 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate?
2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate has a molecular weight of 253.29 g/mol, XLogP of 1.89, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(propan-2-yl)amino]propyl 2-(difluoromethoxy)acetate is sourced from PubChem (CID 87332475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).