4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide

C11H21F2NO2 — CID 166827794

IUPAC4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide
SMILESCC(C)NC(=O)CCC(F)(F)COC(C)C
InChIInChI=1S/C11H21F2NO2/c1-8(2)14-10(15)5-6-11(12,13)7-16-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyDYFAJYOAIWHHTH-UHFFFAOYSA-N
MW237.29 g/mol
LogP2.35
Rot. Bonds7

About 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide

4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide (PubChem CID 166827794) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide.

Molecular Properties

Compound Name4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide
PubChem CID166827794
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC Name4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide
SMILESCC(C)NC(=O)CCC(F)(F)COC(C)C
InChIInChI=1S/C11H21F2NO2/c1-8(2)14-10(15)5-6-11(12,13)7-16-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15)
InChIKeyDYFAJYOAIWHHTH-UHFFFAOYSA-N
XLogP2.35
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide?
The IUPAC name of 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide (CID 166827794) is 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide.
What is the SMILES notation for 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide?
The canonical SMILES for 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide is CC(C)NC(=O)CCC(F)(F)COC(C)C.
What is the InChIKey of 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide?
The InChIKey is DYFAJYOAIWHHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-8(2)14-10(15)5-6-11(12,13)7-16-9(3)4/h8-9H,5-7H2,1-4H3,(H,14,15).
What are the key properties of 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide?
4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide has a molecular weight of 237.29 g/mol, XLogP of 2.35, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N-propan-2-yl-5-propan-2-yloxypentanamide is sourced from PubChem (CID 166827794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).