5-(2,5-difluorophenyl)sulfanylpentanehydrazide

C11H14F2N2OS — CID 55215054

IUPAC5-(2,5-difluorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,14H2,(H,15,16)
InChIKeyMGXSRLNNJJMKCQ-UHFFFAOYSA-N
MW260.31 g/mol
LogP2.22
Rot. Bonds6

About 5-(2,5-difluorophenyl)sulfanylpentanehydrazide

5-(2,5-difluorophenyl)sulfanylpentanehydrazide (PubChem CID 55215054) has the molecular formula C11H14F2N2OS and a molecular weight of 260.31 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)sulfanylpentanehydrazide.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)sulfanylpentanehydrazide
PubChem CID55215054
Molecular FormulaC11H14F2N2OS
Molecular Weight260.31 g/mol
Exact Mass260.08
IUPAC Name5-(2,5-difluorophenyl)sulfanylpentanehydrazide
SMILESNNC(=O)CCCCSc1cc(F)ccc1F
InChIInChI=1S/C11H14F2N2OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,14H2,(H,15,16)
InChIKeyMGXSRLNNJJMKCQ-UHFFFAOYSA-N
XLogP2.22
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
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': '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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Related Compounds

6-(2-amino-5-fluorophenyl)sulfanylhexanehydrazide
CID 79143496
4-(2-amino-4-fluorophenyl)sulfanylbutanehydrazide
CID 63581095
4-(2,5-difluorophenyl)sulfanylbutan-1-amine
CID 43530759
5-(2-amino-5-chlorophenyl)sulfanylpentanehydrazide
CID 79527950
4-(4-fluorophenyl)sulfanylbutanehydrazide
CID 63580028
5-(2,5-difluorophenyl)sulfanylpentan-1-ol
CID 62226939
3-(2-fluorophenyl)sulfanylpropanehydrazide
CID 43236853
methyl 2-amino-4-(2,5-difluorophenyl)sulfanylbutanoate
CID 63034697
5-(2,5-difluorophenyl)sulfanylpentanenitrile
CID 60665590
5-(3,4-difluorophenyl)pentanehydrazide
CID 116843725
5-(2,5-difluorophenyl)sulfanyl-2-ethyl-2-(ethylamino)pentanoic acid
CID 106807405
N-(2-amino-4-fluorophenyl)-2-(2,5-difluorophenyl)sulfanylacetamide
CID 43519004

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)sulfanylpentanehydrazide?
The IUPAC name of 5-(2,5-difluorophenyl)sulfanylpentanehydrazide (CID 55215054) is 5-(2,5-difluorophenyl)sulfanylpentanehydrazide.
What is the SMILES notation for 5-(2,5-difluorophenyl)sulfanylpentanehydrazide?
The canonical SMILES for 5-(2,5-difluorophenyl)sulfanylpentanehydrazide is NNC(=O)CCCCSc1cc(F)ccc1F.
What is the InChIKey of 5-(2,5-difluorophenyl)sulfanylpentanehydrazide?
The InChIKey is MGXSRLNNJJMKCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2OS/c12-8-4-5-9(13)10(7-8)17-6-2-1-3-11(16)15-14/h4-5,7H,1-3,6,14H2,(H,15,16).
What are the key properties of 5-(2,5-difluorophenyl)sulfanylpentanehydrazide?
5-(2,5-difluorophenyl)sulfanylpentanehydrazide has a molecular weight of 260.31 g/mol, XLogP of 2.22, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)sulfanylpentanehydrazide is sourced from PubChem (CID 55215054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).