3-fluoro-2-(fluoromethyl)propanamide

C4H7F2NO — CID 87189789

IUPAC3-fluoro-2-(fluoromethyl)propanamide
SMILESNC(=O)C(CF)CF
InChIInChI=1S/C4H7F2NO/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H2,7,8)
InChIKeySCZCKPULFVOQQJ-UHFFFAOYSA-N
MW123.10 g/mol
LogP0.03
Rot. Bonds3

About 3-fluoro-2-(fluoromethyl)propanamide

3-fluoro-2-(fluoromethyl)propanamide (PubChem CID 87189789) has the molecular formula C4H7F2NO and a molecular weight of 123.10 g/mol. Its IUPAC name is 3-fluoro-2-(fluoromethyl)propanamide.

Molecular Properties

Compound Name3-fluoro-2-(fluoromethyl)propanamide
PubChem CID87189789
Molecular FormulaC4H7F2NO
Molecular Weight123.10 g/mol
Exact Mass123.05
IUPAC Name3-fluoro-2-(fluoromethyl)propanamide
SMILESNC(=O)C(CF)CF
InChIInChI=1S/C4H7F2NO/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H2,7,8)
InChIKeySCZCKPULFVOQQJ-UHFFFAOYSA-N
XLogP0.03
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.10
LogP ≤ 50.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(fluoromethyl)propanamide?
The IUPAC name of 3-fluoro-2-(fluoromethyl)propanamide (CID 87189789) is 3-fluoro-2-(fluoromethyl)propanamide.
What is the SMILES notation for 3-fluoro-2-(fluoromethyl)propanamide?
The canonical SMILES for 3-fluoro-2-(fluoromethyl)propanamide is NC(=O)C(CF)CF.
What is the InChIKey of 3-fluoro-2-(fluoromethyl)propanamide?
The InChIKey is SCZCKPULFVOQQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7F2NO/c5-1-3(2-6)4(7)8/h3H,1-2H2,(H2,7,8).
What are the key properties of 3-fluoro-2-(fluoromethyl)propanamide?
3-fluoro-2-(fluoromethyl)propanamide has a molecular weight of 123.10 g/mol, XLogP of 0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(fluoromethyl)propanamide is sourced from PubChem (CID 87189789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).