2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline

C15H22F3N3 — CID 107012627

IUPAC2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
SMILESC=CCCCCCC(NN)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H22F3N3/c1-2-3-4-5-6-7-14(21-20)12-10-11(15(16,17)18)8-9-13(12)19/h2,8-10,14,21H,1,3-7,19-20H2
InChIKeyOFWKFTJCBPTVSJ-UHFFFAOYSA-N
MW301.36 g/mol
LogP3.93
Rot. Bonds8

About 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline

2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline (PubChem CID 107012627) has the molecular formula C15H22F3N3 and a molecular weight of 301.36 g/mol. Its IUPAC name is 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
PubChem CID107012627
Molecular FormulaC15H22F3N3
Molecular Weight301.36 g/mol
Exact Mass301.18
IUPAC Name2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
SMILESC=CCCCCCC(NN)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C15H22F3N3/c1-2-3-4-5-6-7-14(21-20)12-10-11(15(16,17)18)8-9-13(12)19/h2,8-10,14,21H,1,3-7,19-20H2
InChIKeyOFWKFTJCBPTVSJ-UHFFFAOYSA-N
XLogP3.93
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.36
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline
CID 107012619
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
CID 105264836
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433
1-(2,5-dichlorothiophen-3-yl)oct-7-enylhydrazine
CID 107970721
1-(2-bromofuran-3-yl)oct-7-enylhydrazine
CID 107012785
2-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801
1-(4-bromo-2-methoxyphenyl)oct-7-enylhydrazine
CID 107012919
1-(3-chloro-4-pyridinyl)oct-7-enylhydrazine
CID 107012984

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline (CID 107012627) is 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline is C=CCCCCCC(NN)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline?
The InChIKey is OFWKFTJCBPTVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N3/c1-2-3-4-5-6-7-14(21-20)12-10-11(15(16,17)18)8-9-13(12)19/h2,8-10,14,21H,1,3-7,19-20H2.
What are the key properties of 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline?
2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline has a molecular weight of 301.36 g/mol, XLogP of 3.93, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 107012627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).