N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide

C13H21F2NO2 — CID 58376225

IUPACN-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCOCC1)C1CC1(F)F
InChIInChI=1S/C13H21F2NO2/c1-2-5-16(11-9-13(11,14)15)12(17)8-10-3-6-18-7-4-10/h10-11H,2-9H2,1H3
InChIKeyPFJFIGCJQPZZIF-UHFFFAOYSA-N
MW261.31 g/mol
LogP2.45
Rot. Bonds5

About N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide

N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide (PubChem CID 58376225) has the molecular formula C13H21F2NO2 and a molecular weight of 261.31 g/mol. Its IUPAC name is N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide.

Molecular Properties

Compound NameN-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide
PubChem CID58376225
Molecular FormulaC13H21F2NO2
Molecular Weight261.31 g/mol
Exact Mass261.15
IUPAC NameN-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide
SMILESCCCN(C(=O)CC1CCOCC1)C1CC1(F)F
InChIInChI=1S/C13H21F2NO2/c1-2-5-16(11-9-13(11,14)15)12(17)8-10-3-6-18-7-4-10/h10-11H,2-9H2,1H3
InChIKeyPFJFIGCJQPZZIF-UHFFFAOYSA-N
XLogP2.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.31
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide?
The IUPAC name of N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide (CID 58376225) is N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide.
What is the SMILES notation for N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide?
The canonical SMILES for N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide is CCCN(C(=O)CC1CCOCC1)C1CC1(F)F.
What is the InChIKey of N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide?
The InChIKey is PFJFIGCJQPZZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F2NO2/c1-2-5-16(11-9-13(11,14)15)12(17)8-10-3-6-18-7-4-10/h10-11H,2-9H2,1H3.
What are the key properties of N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide?
N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide has a molecular weight of 261.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluorocyclopropyl)-2-(oxan-4-yl)-N-propylacetamide is sourced from PubChem (CID 58376225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).