2-(2,2-difluorocyclopropyl)-N-ethylacetamide

C7H11F2NO — CID 129280946

IUPAC2-(2,2-difluorocyclopropyl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-2-10-6(11)3-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyJNLRXFRCXPIXCJ-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds3

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

2-(2,2-difluorocyclopropyl)-N-ethylacetamide (PubChem CID 129280946) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 2-(2,2-difluorocyclopropyl)-N-ethylacetamide.

Molecular Properties

Compound Name2-(2,2-difluorocyclopropyl)-N-ethylacetamide
PubChem CID129280946
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name2-(2,2-difluorocyclopropyl)-N-ethylacetamide
SMILESCCNC(=O)CC1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-2-10-6(11)3-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyJNLRXFRCXPIXCJ-UHFFFAOYSA-N
XLogP1.17
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.17
LogP ≤ 51.17
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-ethylacetamide?
The IUPAC name of 2-(2,2-difluorocyclopropyl)-N-ethylacetamide (CID 129280946) is 2-(2,2-difluorocyclopropyl)-N-ethylacetamide.
What is the SMILES notation for 2-(2,2-difluorocyclopropyl)-N-ethylacetamide?
The canonical SMILES for 2-(2,2-difluorocyclopropyl)-N-ethylacetamide is CCNC(=O)CC1CC1(F)F.
What is the InChIKey of 2-(2,2-difluorocyclopropyl)-N-ethylacetamide?
The InChIKey is JNLRXFRCXPIXCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-2-10-6(11)3-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 2-(2,2-difluorocyclopropyl)-N-ethylacetamide?
2-(2,2-difluorocyclopropyl)-N-ethylacetamide has a molecular weight of 163.17 g/mol, XLogP of 1.17, 3 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-ethylacetamide is sourced from PubChem (CID 129280946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).