2-(2,2-difluorocyclopropyl)-N-propylacetamide

C8H13F2NO — CID 170235581

IUPAC2-(2,2-difluorocyclopropyl)-N-propylacetamide
SMILESCCCNC(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-2-3-11-7(12)4-6-5-8(6,9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWHJLUJBCZPALCF-UHFFFAOYSA-N
MW177.19 g/mol
LogP1.56
Rot. Bonds4

About 2-(2,2-difluorocyclopropyl)-N-propylacetamide

2-(2,2-difluorocyclopropyl)-N-propylacetamide (PubChem CID 170235581) has the molecular formula C8H13F2NO and a molecular weight of 177.19 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-propylacetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-propylacetamide
PubChem CID170235581
Molecular FormulaC8H13F2NO
Molecular Weight177.19 g/mol
Exact Mass177.10
IUPAC Name2-(2,2-difluorocyclopropyl)-N-propylacetamide
SMILESCCCNC(=O)CC1CC1(F)F
InChIInChI=1S/C8H13F2NO/c1-2-3-11-7(12)4-6-5-8(6,9)10/h6H,2-5H2,1H3,(H,11,12)
InChIKeyWHJLUJBCZPALCF-UHFFFAOYSA-N
XLogP1.56
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.19
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluorocyclopropyl)-N-propylacetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-propylacetamide (CID 170235581) is 2-(2,2-difluorocyclopropyl)-N-propylacetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-propylacetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-propylacetamide is CCCNC(=O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-propylacetamide?
The InChIKey is WHJLUJBCZPALCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO/c1-2-3-11-7(12)4-6-5-8(6,9)10/h6H,2-5H2,1H3,(H,11,12).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-propylacetamide?
2-(2,2-difluorocyclopropyl)-N-propylacetamide has a molecular weight of 177.19 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluorocyclopropyl)-N-propylacetamide is sourced from PubChem (CID 170235581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).