N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide

C11H21F2NO2 — CID 103842943

IUPACN-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H21F2NO2/c1-3-5-8(6-4-2)11(16)14-7-9(15)10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeySWSJEXLJVVQHDD-UHFFFAOYSA-N
MW237.29 g/mol
LogP1.95
Rot. Bonds8

About N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide

N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide (PubChem CID 103842943) has the molecular formula C11H21F2NO2 and a molecular weight of 237.29 g/mol. Its IUPAC name is N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide.

Molecular Properties

Compound NameN-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide
PubChem CID103842943
Molecular FormulaC11H21F2NO2
Molecular Weight237.29 g/mol
Exact Mass237.15
IUPAC NameN-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)NCC(O)C(F)F
InChIInChI=1S/C11H21F2NO2/c1-3-5-8(6-4-2)11(16)14-7-9(15)10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16)
InChIKeySWSJEXLJVVQHDD-UHFFFAOYSA-N
XLogP1.95
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.29
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide?
The IUPAC name of N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide (CID 103842943) is N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide.
What is the SMILES notation for N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide?
The canonical SMILES for N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide is CCCC(CCC)C(=O)NCC(O)C(F)F.
What is the InChIKey of N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide?
The InChIKey is SWSJEXLJVVQHDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F2NO2/c1-3-5-8(6-4-2)11(16)14-7-9(15)10(12)13/h8-10,15H,3-7H2,1-2H3,(H,14,16).
What are the key properties of N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide?
N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide has a molecular weight of 237.29 g/mol, XLogP of 1.95, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoro-2-hydroxypropyl)-2-propylpentanamide is sourced from PubChem (CID 103842943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).