5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide

C7H8F2N2O2S — CID 43244787

IUPAC5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9)14-3-4-1-2-5(13-4)6(12)11-10/h1-2,7H,3,10H2,(H,11,12)
InChIKeyOHKUBCQOLGGHMT-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.34
Rot. Bonds4

About 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide

5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide (PubChem CID 43244787) has the molecular formula C7H8F2N2O2S and a molecular weight of 222.22 g/mol. Its IUPAC name is 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide.

Molecular Properties

Compound Name5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
PubChem CID43244787
Molecular FormulaC7H8F2N2O2S
Molecular Weight222.22 g/mol
Exact Mass222.03
IUPAC Name5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide
SMILESNNC(=O)c1ccc(CSC(F)F)o1
InChIInChI=1S/C7H8F2N2O2S/c8-7(9)14-3-4-1-2-5(13-4)6(12)11-10/h1-2,7H,3,10H2,(H,11,12)
InChIKeyOHKUBCQOLGGHMT-UHFFFAOYSA-N
XLogP1.34
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]acetic acid
CID 43354351
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]butanoic acid
CID 43469217
5-(difluoromethylsulfanylmethyl)-N-(4-hydroxy-2-methylbutan-2-yl)furan-2-carboxamide
CID 115968835
5-(difluoromethylsulfanylmethyl)-N-(2-hydroxy-2-methylbutyl)furan-2-carboxamide
CID 65112616
1-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]cyclobutane-1-carboxylic acid
CID 81158697
5-[(2-aminophenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582387
2-[[5-(difluoromethylsulfanylmethyl)furan-2-carbonyl]amino]-2-methylpentanoic acid
CID 43618801
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
5-(difluoromethylsulfanylmethyl)-N-(5-methyl-1H-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 78928214
5-[(4-chlorophenyl)methylsulfanylmethyl]furan-2-carbohydrazide
CID 114792304
5-[(2-methylphenyl)sulfanylmethyl]furan-2-carbohydrazide
CID 63582719

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide?
The IUPAC name of 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide (CID 43244787) is 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide.
What is the SMILES notation for 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide?
The canonical SMILES for 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide is NNC(=O)c1ccc(CSC(F)F)o1.
What is the InChIKey of 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide?
The InChIKey is OHKUBCQOLGGHMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2S/c8-7(9)14-3-4-1-2-5(13-4)6(12)11-10/h1-2,7H,3,10H2,(H,11,12).
What are the key properties of 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide?
5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide has a molecular weight of 222.22 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethylsulfanylmethyl)furan-2-carbohydrazide is sourced from PubChem (CID 43244787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).