2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline

C13H13BrF3N3S — CID 105264927

IUPAC2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
SMILESNNC(Cc1cc(Br)cs1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C13H13BrF3N3S/c14-8-4-9(21-6-8)5-12(20-19)10-3-7(13(15,16)17)1-2-11(10)18/h1-4,6,12,20H,5,18-19H2
InChIKeyHFFWEWOEAZVXTH-UHFFFAOYSA-N
MW380.23 g/mol
LogP3.86
Rot. Bonds4

About 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline

2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline (PubChem CID 105264927) has the molecular formula C13H13BrF3N3S and a molecular weight of 380.23 g/mol. Its IUPAC name is 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
PubChem CID105264927
Molecular FormulaC13H13BrF3N3S
Molecular Weight380.23 g/mol
Exact Mass379.00
IUPAC Name2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
SMILESNNC(Cc1cc(Br)cs1)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C13H13BrF3N3S/c14-8-4-9(21-6-8)5-12(20-19)10-3-7(13(15,16)17)1-2-11(10)18/h1-4,6,12,20H,5,18-19H2
InChIKeyHFFWEWOEAZVXTH-UHFFFAOYSA-N
XLogP3.86
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.23
LogP ≤ 53.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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-bromo-2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]aniline
CID 105263590
[2-(4-bromothiophen-2-yl)-1-[4-bromo-2-(trifluoromethyl)phenyl]ethyl]hydrazine
CID 105212857
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
[1-(5-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299240
[2-(4-bromothiophen-2-yl)-1-naphthalen-1-ylethyl]hydrazine
CID 105213280
4-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-1H-pyrazol-5-amine
CID 105231274
[2-(4-bromothiophen-2-yl)-1-(2-methoxyphenyl)ethyl]hydrazine
CID 105191242
[1-(3-bromo-2-chlorophenyl)-2-(4-bromothiophen-2-yl)ethyl]hydrazine
CID 105299354
[2-(4-bromothiophen-2-yl)-1-(3-fluorophenyl)ethyl]hydrazine
CID 105193124
2-[1-hydrazinyl-2-(2-methyltetrazol-5-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066373
2-[1-hydrazinyl-2-(1-methyltriazol-4-yl)ethyl]-4-(trifluoromethyl)aniline
CID 107066372
2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
CID 107012627

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline?
The IUPAC name of 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline (CID 105264927) is 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline is NNC(Cc1cc(Br)cs1)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline?
The InChIKey is HFFWEWOEAZVXTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrF3N3S/c14-8-4-9(21-6-8)5-12(20-19)10-3-7(13(15,16)17)1-2-11(10)18/h1-4,6,12,20H,5,18-19H2.
What are the key properties of 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline?
2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline has a molecular weight of 380.23 g/mol, XLogP of 3.86, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline is sourced from PubChem (CID 105264927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).