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

C14H22FN3 — CID 107012619

IUPAC4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline
SMILESC=CCCCCCC(NN)c1cc(F)ccc1N
InChIInChI=1S/C14H22FN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h2,8-10,14,18H,1,3-7,16-17H2
InChIKeyHHKIMORPKSTQCS-UHFFFAOYSA-N
MW251.35 g/mol
LogP3.05
Rot. Bonds8

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

4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline (PubChem CID 107012619) has the molecular formula C14H22FN3 and a molecular weight of 251.35 g/mol. Its IUPAC name is 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline.

Molecular Properties

Compound Name4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline
PubChem CID107012619
Molecular FormulaC14H22FN3
Molecular Weight251.35 g/mol
Exact Mass251.18
IUPAC Name4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline
SMILESC=CCCCCCC(NN)c1cc(F)ccc1N
InChIInChI=1S/C14H22FN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h2,8-10,14,18H,1,3-7,16-17H2
InChIKeyHHKIMORPKSTQCS-UHFFFAOYSA-N
XLogP3.05
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.35
LogP ≤ 53.05
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

2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
CID 107012627
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
1-(2,5-difluorophenyl)-N-ethyloct-7-en-1-amine
CID 107009101
1-(5-chloro-2-fluorophenyl)hex-5-enylhydrazine
CID 105280013
1-(2-chloro-4-fluorophenyl)pent-4-enylhydrazine
CID 105215376
1-(2-bromo-4-chlorophenyl)oct-7-enylhydrazine
CID 107997433
1-(2-bromofuran-3-yl)oct-7-enylhydrazine
CID 107012785
1-(2,5-dichlorothiophen-3-yl)oct-7-enylhydrazine
CID 107970721
1-(4-ethylphenyl)oct-7-enylhydrazine
CID 107012388
1-(2-chloro-5-fluorophenyl)heptylhydrazine
CID 105398143
1-(2,4-dimethoxyphenyl)oct-7-enylhydrazine
CID 107012801

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline?
The IUPAC name of 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline (CID 107012619) is 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline.
What is the SMILES notation for 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline?
The canonical SMILES for 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline is C=CCCCCCC(NN)c1cc(F)ccc1N.
What is the InChIKey of 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline?
The InChIKey is HHKIMORPKSTQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FN3/c1-2-3-4-5-6-7-14(18-17)12-10-11(15)8-9-13(12)16/h2,8-10,14,18H,1,3-7,16-17H2.
What are the key properties of 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline?
4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline has a molecular weight of 251.35 g/mol, XLogP of 3.05, 8 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(1-hydrazinyloct-7-enyl)aniline is sourced from PubChem (CID 107012619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).