3-butylsulfanyl-2,2-difluoropropanehydrazide

C7H14F2N2OS — CID 165466725

IUPAC3-butylsulfanyl-2,2-difluoropropanehydrazide
SMILESCCCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C7H14F2N2OS/c1-2-3-4-13-5-7(8,9)6(12)11-10/h2-5,10H2,1H3,(H,11,12)
InChIKeyBCTZGVDQPGACBT-UHFFFAOYSA-N
MW212.26 g/mol
LogP1.14
Rot. Bonds6

About 3-butylsulfanyl-2,2-difluoropropanehydrazide

3-butylsulfanyl-2,2-difluoropropanehydrazide (PubChem CID 165466725) has the molecular formula C7H14F2N2OS and a molecular weight of 212.26 g/mol. Its IUPAC name is 3-butylsulfanyl-2,2-difluoropropanehydrazide.

Molecular Properties

Compound Name3-butylsulfanyl-2,2-difluoropropanehydrazide
PubChem CID165466725
Molecular FormulaC7H14F2N2OS
Molecular Weight212.26 g/mol
Exact Mass212.08
IUPAC Name3-butylsulfanyl-2,2-difluoropropanehydrazide
SMILESCCCCSCC(F)(F)C(=O)NN
InChIInChI=1S/C7H14F2N2OS/c1-2-3-4-13-5-7(8,9)6(12)11-10/h2-5,10H2,1H3,(H,11,12)
InChIKeyBCTZGVDQPGACBT-UHFFFAOYSA-N
XLogP1.14
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.26
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-butylsulfanyl-2,2-difluoropropanehydrazide?
The IUPAC name of 3-butylsulfanyl-2,2-difluoropropanehydrazide (CID 165466725) is 3-butylsulfanyl-2,2-difluoropropanehydrazide.
What is the SMILES notation for 3-butylsulfanyl-2,2-difluoropropanehydrazide?
The canonical SMILES for 3-butylsulfanyl-2,2-difluoropropanehydrazide is CCCCSCC(F)(F)C(=O)NN.
What is the InChIKey of 3-butylsulfanyl-2,2-difluoropropanehydrazide?
The InChIKey is BCTZGVDQPGACBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F2N2OS/c1-2-3-4-13-5-7(8,9)6(12)11-10/h2-5,10H2,1H3,(H,11,12).
What are the key properties of 3-butylsulfanyl-2,2-difluoropropanehydrazide?
3-butylsulfanyl-2,2-difluoropropanehydrazide has a molecular weight of 212.26 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butylsulfanyl-2,2-difluoropropanehydrazide is sourced from PubChem (CID 165466725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).