1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine

C15H13FN2 — CID 169386711

IUPAC1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
SMILESC#Cc1cccc(F)c1CNNc1ccccc1
InChIInChI=1S/C15H13FN2/c1-2-12-7-6-10-15(16)14(12)11-17-18-13-8-4-3-5-9-13/h1,3-10,17-18H,11H2
InChIKeyAJSOEUNLMLHFAW-UHFFFAOYSA-N
MW240.28 g/mol
LogP2.92
Rot. Bonds4

About 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine

1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine (PubChem CID 169386711) has the molecular formula C15H13FN2 and a molecular weight of 240.28 g/mol. Its IUPAC name is 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine.

Molecular Properties

Compound Name1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
PubChem CID169386711
Molecular FormulaC15H13FN2
Molecular Weight240.28 g/mol
Exact Mass240.11
IUPAC Name1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine
SMILESC#Cc1cccc(F)c1CNNc1ccccc1
InChIInChI=1S/C15H13FN2/c1-2-12-7-6-10-15(16)14(12)11-17-18-13-8-4-3-5-9-13/h1,3-10,17-18H,11H2
InChIKeyAJSOEUNLMLHFAW-UHFFFAOYSA-N
XLogP2.92
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.28
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(2,3-difluorophenyl)methyl]-2-phenylhydrazine
CID 169384437
1-[[2-chloro-6-(trifluoromethyl)phenyl]methyl]-2-phenylhydrazine
CID 169384542
1-[(2,6-dibromophenyl)methyl]-2-phenylhydrazine
CID 169384469
1-[(2,6-dichloro-3-fluorophenyl)methyl]-2-phenylhydrazine
CID 169385518
2-fluoro-6-[(2-phenylhydrazinyl)methyl]benzoic acid
CID 169387158
1-[(2-fluoro-5-iodophenyl)methyl]-2-phenylhydrazine
CID 169384471
1-[(2,4-difluoro-6-methoxyphenyl)methyl]-2-phenylhydrazine
CID 169386210
3-iodo-2-[(2-phenylhydrazinyl)methyl]phenol
CID 169387063
1-[[2,3-difluoro-6-(trifluoromethoxy)phenyl]methyl]-2-phenylhydrazine
CID 169386741
1-[(4-butoxy-2,6-difluorophenyl)methyl]-2-phenylhydrazine
CID 169385920
1-ethynyl-5-fluoronaphthalene
CID 86094759
1-[(4-chlorophenyl)methyl]-2-phenylhydrazine
CID 70410939

Frequently Asked Questions

What is the IUPAC name of 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine?
The IUPAC name of 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine (CID 169386711) is 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine.
What is the SMILES notation for 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine?
The canonical SMILES for 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine is C#Cc1cccc(F)c1CNNc1ccccc1.
What is the InChIKey of 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine?
The InChIKey is AJSOEUNLMLHFAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN2/c1-2-12-7-6-10-15(16)14(12)11-17-18-13-8-4-3-5-9-13/h1,3-10,17-18H,11H2.
What are the key properties of 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine?
1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine has a molecular weight of 240.28 g/mol, XLogP of 2.92, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-ethynyl-6-fluorophenyl)methyl]-2-phenylhydrazine is sourced from PubChem (CID 169386711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).