3,3-difluoro-2-methylpropanamide

C4H7F2NO — CID 87189553

IUPAC3,3-difluoro-2-methylpropanamide
SMILESCC(C(N)=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2(3(5)6)4(7)8/h2-3H,1H3,(H2,7,8)
InChIKeySFFLTGGOZYHOEC-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.37
Rot. Bonds2

About 3,3-difluoro-2-methylpropanamide

3,3-difluoro-2-methylpropanamide (PubChem CID 87189553) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is 3,3-difluoro-2-methylpropanamide.

Molecular Properties

Compound Name3,3-difluoro-2-methylpropanamide
PubChem CID87189553
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name3,3-difluoro-2-methylpropanamide
SMILESCC(C(N)=O)C(F)F
InChIInChI=1S/C4H7F2NO/c1-2(3(5)6)4(7)8/h2-3H,1H3,(H2,7,8)
InChIKeySFFLTGGOZYHOEC-UHFFFAOYSA-N
XLogP0.37
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-2-methylpropanamide?
The IUPAC name of 3,3-difluoro-2-methylpropanamide (CID 87189553) is 3,3-difluoro-2-methylpropanamide.
What is the SMILES notation for 3,3-difluoro-2-methylpropanamide?
The canonical SMILES for 3,3-difluoro-2-methylpropanamide is CC(C(N)=O)C(F)F.
What is the InChIKey of 3,3-difluoro-2-methylpropanamide?
The InChIKey is SFFLTGGOZYHOEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c1-2(3(5)6)4(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 3,3-difluoro-2-methylpropanamide?
3,3-difluoro-2-methylpropanamide has a molecular weight of 123.10 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-2-methylpropanamide is sourced from PubChem (CID 87189553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).