propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate

C14H25F2NO3 — CID 159193494

IUPACpropyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate
SMILESCCCOC(=O)C(F)(F)C(CC)NC(=O)C(C)(C)CC
InChIInChI=1S/C14H25F2NO3/c1-6-9-20-12(19)14(15,16)10(7-2)17-11(18)13(4,5)8-3/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyIZTSACSWXVSZTG-UHFFFAOYSA-N
MW293.35 g/mol
LogP2.91
Rot. Bonds8

About propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate

propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate (PubChem CID 159193494) has the molecular formula C14H25F2NO3 and a molecular weight of 293.35 g/mol. Its IUPAC name is propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate.

Molecular Properties

Compound Namepropyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate
PubChem CID159193494
Molecular FormulaC14H25F2NO3
Molecular Weight293.35 g/mol
Exact Mass293.18
IUPAC Namepropyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate
SMILESCCCOC(=O)C(F)(F)C(CC)NC(=O)C(C)(C)CC
InChIInChI=1S/C14H25F2NO3/c1-6-9-20-12(19)14(15,16)10(7-2)17-11(18)13(4,5)8-3/h10H,6-9H2,1-5H3,(H,17,18)
InChIKeyIZTSACSWXVSZTG-UHFFFAOYSA-N
XLogP2.91
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.35
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate?
The IUPAC name of propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate (CID 159193494) is propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate.
What is the SMILES notation for propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate?
The canonical SMILES for propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate is CCCOC(=O)C(F)(F)C(CC)NC(=O)C(C)(C)CC.
What is the InChIKey of propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate?
The InChIKey is IZTSACSWXVSZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25F2NO3/c1-6-9-20-12(19)14(15,16)10(7-2)17-11(18)13(4,5)8-3/h10H,6-9H2,1-5H3,(H,17,18).
What are the key properties of propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate?
propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate has a molecular weight of 293.35 g/mol, XLogP of 2.91, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propyl 3-(2,2-dimethylbutanoylamino)-2,2-difluoropentanoate is sourced from PubChem (CID 159193494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).