2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide

C11H8F4N4O — CID 103732714

IUPAC2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)18-7-2-1-3-8(4-7)19-5-16-17-6-19/h1-6,9H,(H,18,20)
InChIKeyQGKPCWMYXHFGQU-UHFFFAOYSA-N
MW288.20 g/mol
LogP2.11
Rot. Bonds4

About 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide

2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide (PubChem CID 103732714) has the molecular formula C11H8F4N4O and a molecular weight of 288.20 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
PubChem CID103732714
Molecular FormulaC11H8F4N4O
Molecular Weight288.20 g/mol
Exact Mass288.06
IUPAC Name2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
SMILESO=C(Nc1cccc(-n2cnnc2)c1)C(F)(F)C(F)F
InChIInChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)18-7-2-1-3-8(4-7)19-5-16-17-6-19/h1-6,9H,(H,18,20)
InChIKeyQGKPCWMYXHFGQU-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

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N-[3-(1,2,4-triazol-4-yl)phenyl]-2-(trifluoromethoxy)benzamide
CID 75497339
2-bromo-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide
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N-(2-methylpropyl)-N'-[3-(1,2,4-triazol-4-yl)phenyl]oxamide
CID 51054016
N-(1,1-difluoropropan-2-yl)-3-(1,2,4-triazol-4-yl)aniline
CID 102868485
N-propan-2-yl-3-(2,2,3,3-tetrafluoropropanoylamino)benzamide
CID 103732776
(2S)-2-amino-4-methylsulfanyl-N-[3-(1,2,4-triazol-4-yl)phenyl]butanamide
CID 61178728
cis-(1R,3S)-2,2-dimethyl-3-[[3-(1,2,4-triazol-4-yl)phenyl]carbamoyl]cyclopropane-1-carboxylic acid
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N-(4-acetamidophenyl)-2,2,3,3-tetrafluoropropanamide
CID 103731824
2,2,3,3-tetrafluoro-N-(4-fluorophenyl)propanamide
CID 103731851

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide?
The IUPAC name of 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide (CID 103732714) is 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide.
What is the SMILES notation for 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide?
The canonical SMILES for 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide is O=C(Nc1cccc(-n2cnnc2)c1)C(F)(F)C(F)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide?
The InChIKey is QGKPCWMYXHFGQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F4N4O/c12-9(13)11(14,15)10(20)18-7-2-1-3-8(4-7)19-5-16-17-6-19/h1-6,9H,(H,18,20).
What are the key properties of 2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-yl)phenyl]propanamide?
2,2,3,3-tetrafluoro-N-[3-(1,2,4-triazol-4-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-[3-(1,2,4-triazol-4-yl)phenyl]propanamide is sourced from PubChem (CID 103732714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).