3-(2,2-difluorocyclopropyl)-N-methylpropanamide

C7H11F2NO — CID 175397167

IUPAC3-(2,2-difluorocyclopropyl)-N-methylpropanamide
SMILESCNC(=O)CCC1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-10-6(11)3-2-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyQROGWTFIBQDDIK-UHFFFAOYSA-N
MW163.17 g/mol
LogP1.17
Rot. Bonds3

About 3-(2,2-difluorocyclopropyl)-N-methylpropanamide

3-(2,2-difluorocyclopropyl)-N-methylpropanamide (PubChem CID 175397167) has the molecular formula C7H11F2NO and a molecular weight of 163.17 g/mol. Its IUPAC name is 3-(2,2-difluorocyclopropyl)-N-methylpropanamide.

Molecular Properties

Compound Name3-(2,2-difluorocyclopropyl)-N-methylpropanamide
PubChem CID175397167
Molecular FormulaC7H11F2NO
Molecular Weight163.17 g/mol
Exact Mass163.08
IUPAC Name3-(2,2-difluorocyclopropyl)-N-methylpropanamide
SMILESCNC(=O)CCC1CC1(F)F
InChIInChI=1S/C7H11F2NO/c1-10-6(11)3-2-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11)
InChIKeyQROGWTFIBQDDIK-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 3-(2,2-difluorocyclopropyl)-N-methylpropanamide?
The IUPAC name of 3-(2,2-difluorocyclopropyl)-N-methylpropanamide (CID 175397167) is 3-(2,2-difluorocyclopropyl)-N-methylpropanamide.
What is the SMILES notation for 3-(2,2-difluorocyclopropyl)-N-methylpropanamide?
The canonical SMILES for 3-(2,2-difluorocyclopropyl)-N-methylpropanamide is CNC(=O)CCC1CC1(F)F.
What is the InChIKey of 3-(2,2-difluorocyclopropyl)-N-methylpropanamide?
The InChIKey is QROGWTFIBQDDIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO/c1-10-6(11)3-2-5-4-7(5,8)9/h5H,2-4H2,1H3,(H,10,11).
What are the key properties of 3-(2,2-difluorocyclopropyl)-N-methylpropanamide?
3-(2,2-difluorocyclopropyl)-N-methylpropanamide 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 3-(2,2-difluorocyclopropyl)-N-methylpropanamide is sourced from PubChem (CID 175397167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).