3-fluoro-N-(2,2,2-trifluoroethyl)propanamide

C5H7F4NO — CID 87326943

IUPAC3-fluoro-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCF)NCC(F)(F)F
InChIInChI=1S/C5H7F4NO/c6-2-1-4(11)10-3-5(7,8)9/h1-3H2,(H,10,11)
InChIKeyMTMABZZFIJHZTR-UHFFFAOYSA-N
MW173.11 g/mol
LogP1.02
Rot. Bonds3

About 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide

3-fluoro-N-(2,2,2-trifluoroethyl)propanamide (PubChem CID 87326943) has the molecular formula C5H7F4NO and a molecular weight of 173.11 g/mol. Its IUPAC name is 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide.

Molecular Properties

Compound Name3-fluoro-N-(2,2,2-trifluoroethyl)propanamide
PubChem CID87326943
Molecular FormulaC5H7F4NO
Molecular Weight173.11 g/mol
Exact Mass173.05
IUPAC Name3-fluoro-N-(2,2,2-trifluoroethyl)propanamide
SMILESO=C(CCF)NCC(F)(F)F
InChIInChI=1S/C5H7F4NO/c6-2-1-4(11)10-3-5(7,8)9/h1-3H2,(H,10,11)
InChIKeyMTMABZZFIJHZTR-UHFFFAOYSA-N
XLogP1.02
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide?
The IUPAC name of 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide (CID 87326943) is 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide.
What is the SMILES notation for 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide?
The canonical SMILES for 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide is O=C(CCF)NCC(F)(F)F.
What is the InChIKey of 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide?
The InChIKey is MTMABZZFIJHZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7F4NO/c6-2-1-4(11)10-3-5(7,8)9/h1-3H2,(H,10,11).
What are the key properties of 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide?
3-fluoro-N-(2,2,2-trifluoroethyl)propanamide has a molecular weight of 173.11 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(2,2,2-trifluoroethyl)propanamide is sourced from PubChem (CID 87326943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).