2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide

C6H5F4NO — CID 130742340

IUPAC2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(F)C(F)(F)F
InChIInChI=1S/C6H5F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h1,4H,3H2,(H,11,12)
InChIKeyZJRZSXPLJSVBHT-UHFFFAOYSA-N
MW183.10 g/mol
LogP0.64
Rot. Bonds2

About 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide

2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide (PubChem CID 130742340) has the molecular formula C6H5F4NO and a molecular weight of 183.10 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide
PubChem CID130742340
Molecular FormulaC6H5F4NO
Molecular Weight183.10 g/mol
Exact Mass183.03
IUPAC Name2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide
SMILESC#CCNC(=O)C(F)C(F)(F)F
InChIInChI=1S/C6H5F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h1,4H,3H2,(H,11,12)
InChIKeyZJRZSXPLJSVBHT-UHFFFAOYSA-N
XLogP0.64
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.10
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-ethyl-2,2,3,3,4,4,4-heptafluorobutanamide
CID 4218327
2,2,2-trifluoro-N-(prop-2-yn-1-yl)acetamide
CID 11094805
N-(but-3-yn-1-yl)-2,2,2-trifluoroacetamide
CID 21580370
N-(2,2,3,3,3-pentafluoropropyl)acetamide
CID 54111123
2,2,3,3,3-Pentafluoro-N-propylpropanamide
CID 12647416
2,2-difluoro-N-propylbut-3-ynamide
CID 130015188
n-Butyl-2,2,3,3,3-pentafluoropropanamide
CID 600675
N-butyl-2,2,3,3-tetrafluoropropanamide
CID 4464349
Ethylamine, N-pentafluoropropionyl-
CID 85529433
N-(3-aminoprop-2-ynyl)-2,2,2-trifluoroacetamide
CID 14768535
N-(4-pentynyl)-trifluoroacetamide
CID 15817624
3,3,3-trifluoro-N-propylpropanamide
CID 21916099

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide (CID 130742340) is 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide is C#CCNC(=O)C(F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide?
The InChIKey is ZJRZSXPLJSVBHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F4NO/c1-2-3-11-5(12)4(7)6(8,9)10/h1,4H,3H2,(H,11,12).
What are the key properties of 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide?
2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide has a molecular weight of 183.10 g/mol, XLogP of 0.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-N-prop-2-ynylpropanamide is sourced from PubChem (CID 130742340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).