2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide

C14H21FN2O — CID 156653677

IUPAC2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NN
InChIInChI=1S/C14H21FN2O/c1-8(2)11-5-10(15)6-12(9(3)4)13(11)7-14(18)17-16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyVCIJQNSVKNBYGQ-UHFFFAOYSA-N
MW252.33 g/mol
LogP2.60
Rot. Bonds4

About 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide

2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide (PubChem CID 156653677) has the molecular formula C14H21FN2O and a molecular weight of 252.33 g/mol. Its IUPAC name is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide.

Molecular Properties

Compound Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide
PubChem CID156653677
Molecular FormulaC14H21FN2O
Molecular Weight252.33 g/mol
Exact Mass252.16
IUPAC Name2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide
SMILESCC(C)c1cc(F)cc(C(C)C)c1CC(=O)NN
InChIInChI=1S/C14H21FN2O/c1-8(2)11-5-10(15)6-12(9(3)4)13(11)7-14(18)17-16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18)
InChIKeyVCIJQNSVKNBYGQ-UHFFFAOYSA-N
XLogP2.60
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.33
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide?
The IUPAC name of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide (CID 156653677) is 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide.
What is the SMILES notation for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide?
The canonical SMILES for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide is CC(C)c1cc(F)cc(C(C)C)c1CC(=O)NN.
What is the InChIKey of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide?
The InChIKey is VCIJQNSVKNBYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21FN2O/c1-8(2)11-5-10(15)6-12(9(3)4)13(11)7-14(18)17-16/h5-6,8-9H,7,16H2,1-4H3,(H,17,18).
What are the key properties of 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide?
2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide has a molecular weight of 252.33 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-fluoro-2,6-di(propan-2-yl)phenyl]acetohydrazide is sourced from PubChem (CID 156653677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).