2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide

C11H8F4N4O — CID 103737699

IUPAC2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)17-7-3-1-2-4-8(7)19-6-5-16-18-19/h1-6,9H,(H,17,20)
InChIKeyGLFSJQDMEIFCGY-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.11
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide (PubChem CID 103737699) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
PubChem CID103737699
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide
SMILESO=C(Nc1ccccc1-n1ccnn1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)17-7-3-1-2-4-8(7)19-6-5-16-18-19/h1-6,9H,(H,17,20)
InChIKeyGLFSJQDMEIFCGY-UHFFFAOYSA-N
XLogP2.11
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.20
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,3,3-tetrafluoro-N-(2-pyrazol-1-ylphenyl)propanamide
CID 103732765
3-chloro-2,2-dimethyl-N-[2-(triazol-1-yl)phenyl]propanamide
CID 63678665
(2R)-2-amino-N-[2-(triazol-1-yl)phenyl]propanamide
CID 54991404
2-[[2-(triazol-1-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
CID 60941818
(2S)-2-amino-N-[2-(triazol-1-yl)phenyl]butanamide
CID 79025471
N-[2-(triazol-1-yl)phenyl]pyridazine-4-carboxamide
CID 75448348
N-[2-(triazol-1-yl)phenyl]but-2-enamide
CID 112729497
N-[2-(triazol-1-yl)phenyl]-2-[2-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 112835261
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylphenyl)propanamide
CID 103731890
2-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 61294563
3-fluoro-N-[2-(triazol-1-yl)phenyl]pyridine-4-carboxamide
CID 115645903
2-amino-3-methoxy-N-[2-(triazol-1-yl)phenyl]propanamide
CID 81083065

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide (CID 103737699) is 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide is O=C(Nc1ccccc1-n1ccnn1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide?
The InChIKey is GLFSJQDMEIFCGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)17-7-3-1-2-4-8(7)19-6-5-16-18-19/h1-6,9H,(H,17,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide has a molecular weight of 288.20 g/mol, XLogP of 2.11, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-N-[2-(triazol-1-yl)phenyl]propanamide is sourced from PubChem (CID 103737699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).