2-(difluoromethyl)-3,3-difluoropropanamide

C4H5F4NO — CID 87189773

IUPAC2-(difluoromethyl)-3,3-difluoropropanamide
SMILESNC(=O)C(C(F)F)C(F)F
InChIInChI=1S/C4H5F4NO/c5-2(6)1(3(7)8)4(9)10/h1-3H,(H2,9,10)
InChIKeyRCRYYTQGKVTMHC-UHFFFAOYSA-N
MW159.08 g/mol
LogP0.62
Rot. Bonds3

About 2-(difluoromethyl)-3,3-difluoropropanamide

2-(difluoromethyl)-3,3-difluoropropanamide (PubChem CID 87189773) has the molecular formula C4H5F4NO and a molecular weight of 159.08 g/mol. Its IUPAC name is 2-(difluoromethyl)-3,3-difluoropropanamide.

Molecular Properties

Compound Name2-(difluoromethyl)-3,3-difluoropropanamide
PubChem CID87189773
Molecular FormulaC4H5F4NO
Molecular Weight159.08 g/mol
Exact Mass159.03
IUPAC Name2-(difluoromethyl)-3,3-difluoropropanamide
SMILESNC(=O)C(C(F)F)C(F)F
InChIInChI=1S/C4H5F4NO/c5-2(6)1(3(7)8)4(9)10/h1-3H,(H2,9,10)
InChIKeyRCRYYTQGKVTMHC-UHFFFAOYSA-N
XLogP0.62
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.08
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3,3-difluoropropanamide?
The IUPAC name of 2-(difluoromethyl)-3,3-difluoropropanamide (CID 87189773) is 2-(difluoromethyl)-3,3-difluoropropanamide.
What is the SMILES notation for 2-(difluoromethyl)-3,3-difluoropropanamide?
The canonical SMILES for 2-(difluoromethyl)-3,3-difluoropropanamide is NC(=O)C(C(F)F)C(F)F.
What is the InChIKey of 2-(difluoromethyl)-3,3-difluoropropanamide?
The InChIKey is RCRYYTQGKVTMHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F4NO/c5-2(6)1(3(7)8)4(9)10/h1-3H,(H2,9,10).
What are the key properties of 2-(difluoromethyl)-3,3-difluoropropanamide?
2-(difluoromethyl)-3,3-difluoropropanamide has a molecular weight of 159.08 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3,3-difluoropropanamide is sourced from PubChem (CID 87189773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).