2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide

C11H14F2N2OS — CID 55215053

IUPAC2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1cc(F)ccc1F)C(=O)NN
InChIInChI=1S/C11H14F2N2OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyFTJLWOIKKRALOI-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.07
Rot. Bonds4

About 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide

2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide (PubChem CID 55215053) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
PubChem CID55215053
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide
SMILESCC(C)C(Sc1cc(F)ccc1F)C(=O)NN
InChIInChI=1S/C11H14F2N2OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16)
InChIKeyFTJLWOIKKRALOI-UHFFFAOYSA-N
XLogP2.07
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

(2S)-N-carbamoyl-2-(2,5-difluorophenyl)sulfanylpropanamide
CID 8870554
2-(2,5-difluorophenyl)sulfanylpropanoic acid
CID 16772336
N-carbamoyl-2-(2,4-difluorophenyl)sulfanyl-3-methylbutanamide
CID 47115223
3-methyl-2-(4-methylphenyl)sulfanylbutanehydrazide
CID 63580962
2-(2-bromophenyl)sulfanyl-3-methylbutanehydrazide
CID 63581762
(2R)-2-(2,5-difluorophenyl)sulfanyl-N-(2-fluorophenyl)propanamide
CID 8870293
2-(2,5-difluorophenyl)sulfanyl-1-(4-methylphenyl)propan-1-one
CID 43224877
(2S)-2-(2,5-difluorophenyl)sulfanyl-N-(2,5-dimethylphenyl)propanamide
CID 9062922
2-[(5-amino-2-pyridinyl)sulfanyl]-3-methylbutanehydrazide
CID 63589205
3-(2-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405140
3-methyl-2-(5-methylpyrimidin-2-yl)sulfanylbutanehydrazide
CID 63590109
2-(4-fluorophenyl)sulfanyl-N-(4-methoxyphenyl)-3-methylbutanamide
CID 42925540

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide?
The IUPAC name of 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide (CID 55215053) is 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide.
What is the SMILES notation for 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide?
The canonical SMILES for 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide is CC(C)C(Sc1cc(F)ccc1F)C(=O)NN.
What is the InChIKey of 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide?
The InChIKey is FTJLWOIKKRALOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-6(2)10(11(16)15-14)17-9-5-7(12)3-4-8(9)13/h3-6,10H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide?
2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide has a molecular weight of 260.31 g/mol, XLogP of 2.07, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)sulfanyl-3-methylbutanehydrazide is sourced from PubChem (CID 55215053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).