4-(3,4-difluorophenyl)sulfanylpentanehydrazide

C11H14F2N2OS — CID 63582881

IUPAC4-(3,4-difluorophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2OS/c1-7(2-5-11(16)15-14)17-8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyITHKKKKZWAVVRH-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.22
Rot. Bonds5

About 4-(3,4-difluorophenyl)sulfanylpentanehydrazide

4-(3,4-difluorophenyl)sulfanylpentanehydrazide (PubChem CID 63582881) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)sulfanylpentanehydrazide
PubChem CID63582881
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name4-(3,4-difluorophenyl)sulfanylpentanehydrazide
SMILESCC(CCC(=O)NN)Sc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2OS/c1-7(2-5-11(16)15-14)17-8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,14H2,1H3,(H,15,16)
InChIKeyITHKKKKZWAVVRH-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.31
LogP ≤ 52.22
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

4-(3,4-difluorophenyl)sulfanylpentanoic acid
CID 62215056
4-(4-hydroxyphenyl)sulfanylpentanehydrazide
CID 63581994
4-(4-amino-2-fluorophenyl)sulfanylpentanehydrazide
CID 63582597
4-(4-methoxyphenyl)sulfanylpentanehydrazide
CID 63580974
4-(3,4-difluorophenyl)sulfanyl-2-methyl-2-(propylamino)pentanamide
CID 64712171
2-(3,4-difluorophenyl)sulfanyl-N-propan-2-ylpropan-1-amine
CID 62576763
methyl 2-(3,4-difluorophenyl)sulfanylhexanoate
CID 112692873
2-(cyclopropylamino)-4-(3,4-difluorophenyl)sulfanyl-2-methylpentanamide
CID 64709642
4-(4-chlorophenyl)sulfanylpentanoic acid
CID 62213263
4-(3-amino-2-methylphenyl)sulfanylpentanehydrazide
CID 79141495
3-(3,4-difluorophenyl)sulfanyl-N-(1-hydroxy-3-methylbutan-2-yl)propanamide
CID 79253214
3-(3-chloro-4-fluorophenyl)sulfanyl-2-methylbutanehydrazide
CID 79405680

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)sulfanylpentanehydrazide?
The IUPAC name of 4-(3,4-difluorophenyl)sulfanylpentanehydrazide (CID 63582881) is 4-(3,4-difluorophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 4-(3,4-difluorophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 4-(3,4-difluorophenyl)sulfanylpentanehydrazide is CC(CCC(=O)NN)Sc1ccc(F)c(F)c1.
What is the InChIKey of 4-(3,4-difluorophenyl)sulfanylpentanehydrazide?
The InChIKey is ITHKKKKZWAVVRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c1-7(2-5-11(16)15-14)17-8-3-4-9(12)10(13)6-8/h3-4,6-7H,2,5,14H2,1H3,(H,15,16).
What are the key properties of 4-(3,4-difluorophenyl)sulfanylpentanehydrazide?
4-(3,4-difluorophenyl)sulfanylpentanehydrazide has a molecular weight of 260.31 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 63582881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).