5-(3,4-difluorophenyl)pentanehydrazide

C11H14F2N2O — CID 116843725

IUPAC5-(3,4-difluorophenyl)pentanehydrazide
SMILESNNC(=O)CCCCc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(16)15-14/h5-7H,1-4,14H2,(H,15,16)
InChIKeyDAIWIZISKCMQPE-UHFFFAOYSA-N
MW228.24 g/mol
LogP1.67
Rot. Bonds5

About 5-(3,4-difluorophenyl)pentanehydrazide

5-(3,4-difluorophenyl)pentanehydrazide (PubChem CID 116843725) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 5-(3,4-difluorophenyl)pentanehydrazide.

Molecular Properties

Compound Name5-(3,4-difluorophenyl)pentanehydrazide
PubChem CID116843725
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name5-(3,4-difluorophenyl)pentanehydrazide
SMILESNNC(=O)CCCCc1ccc(F)c(F)c1
InChIInChI=1S/C11H14F2N2O/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(16)15-14/h5-7H,1-4,14H2,(H,15,16)
InChIKeyDAIWIZISKCMQPE-UHFFFAOYSA-N
XLogP1.67
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

5-(3,4-difluorophenyl)-N'-methylpentanehydrazide
CID 116846626
(2R)-2-[4-(3,4-difluorophenyl)butanoylamino]propanoic acid
CID 91645243
5-(4-methoxyphenyl)pentanehydrazide
CID 59015987
5-(3,4-difluorophenyl)pentanal
CID 82255703
11-(3,4-difluorophenyl)undecanal
CID 123357909
2-[4-(3,4-difluorophenyl)butanoylamino]pentanoic acid
CID 82224521
4-(6-methylnaphthalen-2-yl)butanehydrazide
CID 116843668
3-[6-(3-hydrazinyl-3-oxopropyl)naphthalen-2-yl]propanehydrazide
CID 166059452
N-[2-(aminomethyl)cyclohexyl]-4-(3,4-difluorophenyl)butanamide
CID 119610887
butyl 3-(3,4-difluorophenyl)propanoate
CID 112727101
4-(3,4-difluorophenyl)-N-pyrrolidin-3-ylbutanamide;hydrochloride
CID 119451917
6-bromo-1-(3,4-difluorophenyl)hexan-3-one
CID 106798827

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-difluorophenyl)pentanehydrazide?
The IUPAC name of 5-(3,4-difluorophenyl)pentanehydrazide (CID 116843725) is 5-(3,4-difluorophenyl)pentanehydrazide.
What is the SMILES notation for 5-(3,4-difluorophenyl)pentanehydrazide?
The canonical SMILES for 5-(3,4-difluorophenyl)pentanehydrazide is NNC(=O)CCCCc1ccc(F)c(F)c1.
What is the InChIKey of 5-(3,4-difluorophenyl)pentanehydrazide?
The InChIKey is DAIWIZISKCMQPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c12-9-6-5-8(7-10(9)13)3-1-2-4-11(16)15-14/h5-7H,1-4,14H2,(H,15,16).
What are the key properties of 5-(3,4-difluorophenyl)pentanehydrazide?
5-(3,4-difluorophenyl)pentanehydrazide has a molecular weight of 228.24 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-difluorophenyl)pentanehydrazide is sourced from PubChem (CID 116843725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).