2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline

C14H14F3N3 — CID 105263263

IUPAC2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline
SMILESNNC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1N
InChIInChI=1S/C14H14F3N3/c15-9-2-4-13(18)10(7-9)14(20-19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,20H,6,18-19H2
InChIKeyADOQLMYRGHWRNA-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.43
Rot. Bonds4

About 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline

2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline (PubChem CID 105263263) has the molecular formula C14H14F3N3 and a molecular weight of 281.28 g/mol. Its IUPAC name is 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline.

Molecular Properties

Compound Name2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline
PubChem CID105263263
Molecular FormulaC14H14F3N3
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Name2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline
SMILESNNC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1N
InChIInChI=1S/C14H14F3N3/c15-9-2-4-13(18)10(7-9)14(20-19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,20H,6,18-19H2
InChIKeyADOQLMYRGHWRNA-UHFFFAOYSA-N
XLogP2.43
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

[1-(2-bromo-5-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105330420
1-(2-amino-5-fluorophenyl)-2-(3,4-difluorophenyl)ethanol
CID 82920437
[2-(3,4-difluorophenyl)-1-(4-fluorophenyl)ethyl]hydrazine
CID 105192789
[2-(4-chloro-3-fluorophenyl)-1-(2,5-difluorophenyl)ethyl]hydrazine
CID 107895012
[1-(4-chloro-2-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105217930
[2-(3,4-difluorophenyl)-1-(2,4,6-trifluorophenyl)ethyl]hydrazine
CID 105330397
[1-(4-chloro-2,5-difluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105330391
[2-(4-chloro-3-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 107894963
[2-(3-bromo-4-fluorophenyl)-1-(2,4-difluorophenyl)ethyl]hydrazine
CID 105216503
[1-(2-bromo-3-fluorophenyl)-2-(3,4-difluorophenyl)ethyl]hydrazine
CID 105330355
[1-(2,5-difluorophenyl)-2-(3-methylphenyl)ethyl]hydrazine
CID 105208925
[2-(3,4-difluorophenyl)-1-(2,5-dimethylfuran-3-yl)ethyl]hydrazine
CID 105330361

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The IUPAC name of 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline (CID 105263263) is 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline.
What is the SMILES notation for 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The canonical SMILES for 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline is NNC(Cc1ccc(F)c(F)c1)c1cc(F)ccc1N.
What is the InChIKey of 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline?
The InChIKey is ADOQLMYRGHWRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3/c15-9-2-4-13(18)10(7-9)14(20-19)6-8-1-3-11(16)12(17)5-8/h1-5,7,14,20H,6,18-19H2.
What are the key properties of 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline?
2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline has a molecular weight of 281.28 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,4-difluorophenyl)-1-hydrazinylethyl]-4-fluoroaniline is sourced from PubChem (CID 105263263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).