N-(3,3,3-trifluoro-1-phenylpropyl)propanamide

C12H14F3NO — CID 78324823

IUPACN-(3,3,3-trifluoro-1-phenylpropyl)propanamide
SMILESCCC(=O)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-2-11(17)16-10(8-12(13,14)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)
InChIKeyKUFUYCJYFVIZRN-UHFFFAOYSA-N
MW245.24 g/mol
LogP3.21
Rot. Bonds4

About N-(3,3,3-trifluoro-1-phenylpropyl)propanamide

N-(3,3,3-trifluoro-1-phenylpropyl)propanamide (PubChem CID 78324823) has the molecular formula C12H14F3NO and a molecular weight of 245.24 g/mol. Its IUPAC name is N-(3,3,3-trifluoro-1-phenylpropyl)propanamide.

Molecular Properties

Compound NameN-(3,3,3-trifluoro-1-phenylpropyl)propanamide
PubChem CID78324823
Molecular FormulaC12H14F3NO
Molecular Weight245.24 g/mol
Exact Mass245.10
IUPAC NameN-(3,3,3-trifluoro-1-phenylpropyl)propanamide
SMILESCCC(=O)NC(CC(F)(F)F)c1ccccc1
InChIInChI=1S/C12H14F3NO/c1-2-11(17)16-10(8-12(13,14)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17)
InChIKeyKUFUYCJYFVIZRN-UHFFFAOYSA-N
XLogP3.21
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,3,3-trifluoro-1-phenylpropyl)propanamide?
The IUPAC name of N-(3,3,3-trifluoro-1-phenylpropyl)propanamide (CID 78324823) is N-(3,3,3-trifluoro-1-phenylpropyl)propanamide.
What is the SMILES notation for N-(3,3,3-trifluoro-1-phenylpropyl)propanamide?
The canonical SMILES for N-(3,3,3-trifluoro-1-phenylpropyl)propanamide is CCC(=O)NC(CC(F)(F)F)c1ccccc1.
What is the InChIKey of N-(3,3,3-trifluoro-1-phenylpropyl)propanamide?
The InChIKey is KUFUYCJYFVIZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO/c1-2-11(17)16-10(8-12(13,14)15)9-6-4-3-5-7-9/h3-7,10H,2,8H2,1H3,(H,16,17).
What are the key properties of N-(3,3,3-trifluoro-1-phenylpropyl)propanamide?
N-(3,3,3-trifluoro-1-phenylpropyl)propanamide has a molecular weight of 245.24 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3,3-trifluoro-1-phenylpropyl)propanamide is sourced from PubChem (CID 78324823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).