N-(2,3,3-trifluoroprop-2-enyl)propanamide

C6H8F3NO — CID 90071770

IUPACN-(2,3,3-trifluoroprop-2-enyl)propanamide
SMILESCCC(=O)NCC(F)=C(F)F
InChIInChI=1S/C6H8F3NO/c1-2-5(11)10-3-4(7)6(8)9/h2-3H2,1H3,(H,10,11)
InChIKeyCAUDNSFWINMOEX-UHFFFAOYSA-N
MW167.13 g/mol
LogP1.59
Rot. Bonds3

About N-(2,3,3-trifluoroprop-2-enyl)propanamide

N-(2,3,3-trifluoroprop-2-enyl)propanamide (PubChem CID 90071770) has the molecular formula C6H8F3NO and a molecular weight of 167.13 g/mol. Its IUPAC name is N-(2,3,3-trifluoroprop-2-enyl)propanamide.

Molecular Properties

Compound NameN-(2,3,3-trifluoroprop-2-enyl)propanamide
PubChem CID90071770
Molecular FormulaC6H8F3NO
Molecular Weight167.13 g/mol
Exact Mass167.06
IUPAC NameN-(2,3,3-trifluoroprop-2-enyl)propanamide
SMILESCCC(=O)NCC(F)=C(F)F
InChIInChI=1S/C6H8F3NO/c1-2-5(11)10-3-4(7)6(8)9/h2-3H2,1H3,(H,10,11)
InChIKeyCAUDNSFWINMOEX-UHFFFAOYSA-N
XLogP1.59
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.13
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(2,3,3-trifluoroprop-2-enyl)propanamide?
The IUPAC name of N-(2,3,3-trifluoroprop-2-enyl)propanamide (CID 90071770) is N-(2,3,3-trifluoroprop-2-enyl)propanamide.
What is the SMILES notation for N-(2,3,3-trifluoroprop-2-enyl)propanamide?
The canonical SMILES for N-(2,3,3-trifluoroprop-2-enyl)propanamide is CCC(=O)NCC(F)=C(F)F.
What is the InChIKey of N-(2,3,3-trifluoroprop-2-enyl)propanamide?
The InChIKey is CAUDNSFWINMOEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO/c1-2-5(11)10-3-4(7)6(8)9/h2-3H2,1H3,(H,10,11).
What are the key properties of N-(2,3,3-trifluoroprop-2-enyl)propanamide?
N-(2,3,3-trifluoroprop-2-enyl)propanamide has a molecular weight of 167.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,3-trifluoroprop-2-enyl)propanamide is sourced from PubChem (CID 90071770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).