2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline

C14H13F4N3 — CID 107292299

IUPAC2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1N
InChIInChI=1S/C14H13F4N3/c15-11-6-5-8(7-10(11)14(16,17)18)13(21-20)9-3-1-2-4-12(9)19/h1-7,13,21H,19-20H2
InChIKeyNJERICRLNQEJAA-UHFFFAOYSA-N
MW299.27 g/mol
LogP2.98
Rot. Bonds3

About 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline

2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline (PubChem CID 107292299) has the molecular formula C14H13F4N3 and a molecular weight of 299.27 g/mol. Its IUPAC name is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline.

Molecular Properties

Compound Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
PubChem CID107292299
Molecular FormulaC14H13F4N3
Molecular Weight299.27 g/mol
Exact Mass299.10
IUPAC Name2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline
SMILESNNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1N
InChIInChI=1S/C14H13F4N3/c15-11-6-5-8(7-10(11)14(16,17)18)13(21-20)9-3-1-2-4-12(9)19/h1-7,13,21H,19-20H2
InChIKeyNJERICRLNQEJAA-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.27
LogP ≤ 52.98
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

[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-iodophenyl)methyl]hydrazine
CID 107292549
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210
[(3-fluoro-4-pyridinyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105335389
[(3-bromophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 107292244
[[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylthiophen-3-yl)methyl]hydrazine
CID 107292364
1-[4-fluoro-3-(trifluoromethyl)phenyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 115794840
[(4-methoxyphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105190882
(2-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanamine
CID 115801247
[(4-chloro-2-fluorophenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105217891
[[4-fluoro-3-(trifluoromethyl)phenyl]-(2-methylpyrimidin-4-yl)methyl]hydrazine
CID 107292392
[(3-chloro-4-methylphenyl)-[2-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105304823
[(3-bromo-4-fluorophenyl)-(2-fluorophenyl)methyl]hydrazine
CID 105264062

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline?
The IUPAC name of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline (CID 107292299) is 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline.
What is the SMILES notation for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline?
The canonical SMILES for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline is NNC(c1ccc(F)c(C(F)(F)F)c1)c1ccccc1N.
What is the InChIKey of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline?
The InChIKey is NJERICRLNQEJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F4N3/c15-11-6-5-8(7-10(11)14(16,17)18)13(21-20)9-3-1-2-4-12(9)19/h1-7,13,21H,19-20H2.
What are the key properties of 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline?
2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline has a molecular weight of 299.27 g/mol, XLogP of 2.98, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-3-(trifluoromethyl)phenyl]-hydrazinylmethyl]aniline is sourced from PubChem (CID 107292299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).