2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline

C12H18F3N3 — CID 105264836

IUPAC2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
SMILESCCCCC(NN)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C12H18F3N3/c1-2-3-4-11(18-17)9-7-8(12(13,14)15)5-6-10(9)16/h5-7,11,18H,2-4,16-17H2,1H3
InChIKeyLMBPBFICWQFNLB-UHFFFAOYSA-N
MW261.29 g/mol
LogP2.98
Rot. Bonds5

About 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline

2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline (PubChem CID 105264836) has the molecular formula C12H18F3N3 and a molecular weight of 261.29 g/mol. Its IUPAC name is 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline.

Molecular Properties

Compound Name2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
PubChem CID105264836
Molecular FormulaC12H18F3N3
Molecular Weight261.29 g/mol
Exact Mass261.15
IUPAC Name2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline
SMILESCCCCC(NN)c1cc(C(F)(F)F)ccc1N
InChIInChI=1S/C12H18F3N3/c1-2-3-4-11(18-17)9-7-8(12(13,14)15)5-6-10(9)16/h5-7,11,18H,2-4,16-17H2,1H3
InChIKeyLMBPBFICWQFNLB-UHFFFAOYSA-N
XLogP2.98
TPSA64.07 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.29
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

2-(1-hydrazinyloct-7-enyl)-4-(trifluoromethyl)aniline
CID 107012627
2-[2-amino-5-(trifluoromethyl)phenyl]hexanoic acid
CID 106987905
1-[2-fluoro-5-(trifluoromethyl)phenyl]butylhydrazine
CID 105250213
4-fluoro-2-(1-hydrazinyldecyl)aniline
CID 105263176
4-fluoro-2-(1-hydrazinylundecyl)aniline
CID 105263337
4-bromo-2-(1-hydrazinyloctyl)aniline
CID 105263445
1-[2-bromo-5-(trifluoromethyl)phenyl]-N-methylpentan-1-amine
CID 115832928
1-[3-(trifluoromethyl)phenyl]nonylhydrazine
CID 105193857
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-[2-(4-bromothiophen-2-yl)-1-hydrazinylethyl]-4-(trifluoromethyl)aniline
CID 105264927
(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentan-1-amine
CID 171209582

Frequently Asked Questions

What is the IUPAC name of 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline?
The IUPAC name of 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline (CID 105264836) is 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline.
What is the SMILES notation for 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline?
The canonical SMILES for 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline is CCCCC(NN)c1cc(C(F)(F)F)ccc1N.
What is the InChIKey of 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline?
The InChIKey is LMBPBFICWQFNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N3/c1-2-3-4-11(18-17)9-7-8(12(13,14)15)5-6-10(9)16/h5-7,11,18H,2-4,16-17H2,1H3.
What are the key properties of 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline?
2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline has a molecular weight of 261.29 g/mol, XLogP of 2.98, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydrazinylpentyl)-4-(trifluoromethyl)aniline is sourced from PubChem (CID 105264836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).