3-amino-N-(3,3,3-trifluoropropyl)propanamide

C6H11F3N2O — CID 63226724

IUPAC3-amino-N-(3,3,3-trifluoropropyl)propanamide
SMILESNCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)2-4-11-5(12)1-3-10/h1-4,10H2,(H,11,12)
InChIKeyBMAUCPOSFKYPIE-UHFFFAOYSA-N
MW184.16 g/mol
LogP0.40
Rot. Bonds4

About 3-amino-N-(3,3,3-trifluoropropyl)propanamide

3-amino-N-(3,3,3-trifluoropropyl)propanamide (PubChem CID 63226724) has the molecular formula C6H11F3N2O and a molecular weight of 184.16 g/mol. Its IUPAC name is 3-amino-N-(3,3,3-trifluoropropyl)propanamide.

Molecular Properties

Compound Name3-amino-N-(3,3,3-trifluoropropyl)propanamide
PubChem CID63226724
Molecular FormulaC6H11F3N2O
Molecular Weight184.16 g/mol
Exact Mass184.08
IUPAC Name3-amino-N-(3,3,3-trifluoropropyl)propanamide
SMILESNCCC(=O)NCCC(F)(F)F
InChIInChI=1S/C6H11F3N2O/c7-6(8,9)2-4-11-5(12)1-3-10/h1-4,10H2,(H,11,12)
InChIKeyBMAUCPOSFKYPIE-UHFFFAOYSA-N
XLogP0.40
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.16
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)propanamide?
The IUPAC name of 3-amino-N-(3,3,3-trifluoropropyl)propanamide (CID 63226724) is 3-amino-N-(3,3,3-trifluoropropyl)propanamide.
What is the SMILES notation for 3-amino-N-(3,3,3-trifluoropropyl)propanamide?
The canonical SMILES for 3-amino-N-(3,3,3-trifluoropropyl)propanamide is NCCC(=O)NCCC(F)(F)F.
What is the InChIKey of 3-amino-N-(3,3,3-trifluoropropyl)propanamide?
The InChIKey is BMAUCPOSFKYPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F3N2O/c7-6(8,9)2-4-11-5(12)1-3-10/h1-4,10H2,(H,11,12).
What are the key properties of 3-amino-N-(3,3,3-trifluoropropyl)propanamide?
3-amino-N-(3,3,3-trifluoropropyl)propanamide has a molecular weight of 184.16 g/mol, XLogP of 0.40, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3,3,3-trifluoropropyl)propanamide is sourced from PubChem (CID 63226724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).