N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide

C9H6F6N2O3S — CID 140662670

IUPACN'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide
SMILESO=C(NNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1ccsc1
InChIInChI=1S/C9H6F6N2O3S/c10-8(11,12)7(20,9(13,14)15)6(19)17-16-5(18)4-1-2-21-3-4/h1-3,20H,(H,16,18)(H,17,19)
InChIKeyWSHSORSAQMIBJN-UHFFFAOYSA-N
MW336.21 g/mol
LogP1.36
Rot. Bonds2

About N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide

N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide (PubChem CID 140662670) has the molecular formula C9H6F6N2O3S and a molecular weight of 336.21 g/mol. Its IUPAC name is N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide.

Molecular Properties

Compound NameN'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide
PubChem CID140662670
Molecular FormulaC9H6F6N2O3S
Molecular Weight336.21 g/mol
Exact Mass336.00
IUPAC NameN'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide
SMILESO=C(NNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1ccsc1
InChIInChI=1S/C9H6F6N2O3S/c10-8(11,12)7(20,9(13,14)15)6(19)17-16-5(18)4-1-2-21-3-4/h1-3,20H,(H,16,18)(H,17,19)
InChIKeyWSHSORSAQMIBJN-UHFFFAOYSA-N
XLogP1.36
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide?
The IUPAC name of N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide (CID 140662670) is N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide.
What is the SMILES notation for N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide?
The canonical SMILES for N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide is O=C(NNC(=O)C(O)(C(F)(F)F)C(F)(F)F)c1ccsc1.
What is the InChIKey of N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide?
The InChIKey is WSHSORSAQMIBJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F6N2O3S/c10-8(11,12)7(20,9(13,14)15)6(19)17-16-5(18)4-1-2-21-3-4/h1-3,20H,(H,16,18)(H,17,19).
What are the key properties of N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide?
N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide has a molecular weight of 336.21 g/mol, XLogP of 1.36, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoyl]thiophene-3-carbohydrazide is sourced from PubChem (CID 140662670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).