3-(difluoromethoxy)-N-methylpropanamide

C5H9F2NO2 — CID 174568254

IUPAC3-(difluoromethoxy)-N-methylpropanamide
SMILESCNC(=O)CCOC(F)F
InChIInChI=1S/C5H9F2NO2/c1-8-4(9)2-3-10-5(6)7/h5H,2-3H2,1H3,(H,8,9)
InChIKeyIVJFNXDIQQWVCG-UHFFFAOYSA-N
MW153.13 g/mol
LogP0.36
Rot. Bonds4

About 3-(difluoromethoxy)-N-methylpropanamide

3-(difluoromethoxy)-N-methylpropanamide (PubChem CID 174568254) has the molecular formula C5H9F2NO2 and a molecular weight of 153.13 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methylpropanamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methylpropanamide
PubChem CID174568254
Molecular FormulaC5H9F2NO2
Molecular Weight153.13 g/mol
Exact Mass153.06
IUPAC Name3-(difluoromethoxy)-N-methylpropanamide
SMILESCNC(=O)CCOC(F)F
InChIInChI=1S/C5H9F2NO2/c1-8-4(9)2-3-10-5(6)7/h5H,2-3H2,1H3,(H,8,9)
InChIKeyIVJFNXDIQQWVCG-UHFFFAOYSA-N
XLogP0.36
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.13
LogP ≤ 50.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methylpropanamide?
The IUPAC name of 3-(difluoromethoxy)-N-methylpropanamide (CID 174568254) is 3-(difluoromethoxy)-N-methylpropanamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methylpropanamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methylpropanamide is CNC(=O)CCOC(F)F.
What is the InChIKey of 3-(difluoromethoxy)-N-methylpropanamide?
The InChIKey is IVJFNXDIQQWVCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9F2NO2/c1-8-4(9)2-3-10-5(6)7/h5H,2-3H2,1H3,(H,8,9).
What are the key properties of 3-(difluoromethoxy)-N-methylpropanamide?
3-(difluoromethoxy)-N-methylpropanamide has a molecular weight of 153.13 g/mol, XLogP of 0.36, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methylpropanamide is sourced from PubChem (CID 174568254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).