(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine

C13H14F3N3 — CID 105248975

IUPAC(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
SMILESNNC(CCC(F)(F)F)c1cncc2ccccc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)6-5-12(19-17)11-8-18-7-9-3-1-2-4-10(9)11/h1-4,7-8,12,19H,5-6,17H2
InChIKeyFLNVLFLWJUCOHS-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.08
Rot. Bonds4

About (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine

(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine (PubChem CID 105248975) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine.

Molecular Properties

Compound Name(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
PubChem CID105248975
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine
SMILESNNC(CCC(F)(F)F)c1cncc2ccccc12
InChIInChI=1S/C13H14F3N3/c14-13(15,16)6-5-12(19-17)11-8-18-7-9-3-1-2-4-10(9)11/h1-4,7-8,12,19H,5-6,17H2
InChIKeyFLNVLFLWJUCOHS-UHFFFAOYSA-N
XLogP3.08
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N,N-diethyl-3-hydrazinyl-3-isoquinolin-4-ylpropan-1-amine
CID 105244064
(1-isoquinolin-4-yl-2-methylsulfanylethyl)hydrazine
CID 105213889
1-isoquinolin-4-yl-3-(2,2,2-trifluoroethoxy)propan-1-ol
CID 103147546
1-isoquinolin-4-yl-N,3,3-trimethylbutan-1-amine
CID 63940368
(2-ethyl-1-isoquinolin-4-ylbutyl)hydrazine
CID 105306338
[isoquinolin-4-yl-(2,2,3,3-tetramethylcyclopropyl)methyl]hydrazine
CID 105306448
[1-(3-ethyl-4-pyridinyl)-4,4,4-trifluorobutyl]hydrazine
CID 105262044
(1-isoquinolin-5-yl-3-pyridin-4-ylpropyl)hydrazine
CID 105303109
2-tert-butylsulfanyl-1-isoquinolin-4-yl-N-methylethanamine
CID 65133000
[(2,4-difluorophenyl)-isoquinolin-4-ylmethyl]hydrazine
CID 105216594
3-cyclopentyl-1-isoquinolin-4-ylpropan-1-amine
CID 115856292
(2S)-2-amino-2-isoquinolin-4-ylethanol
CID 55262875

Frequently Asked Questions

What is the IUPAC name of (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine?
The IUPAC name of (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine (CID 105248975) is (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine.
What is the SMILES notation for (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine?
The canonical SMILES for (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine is NNC(CCC(F)(F)F)c1cncc2ccccc12.
What is the InChIKey of (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine?
The InChIKey is FLNVLFLWJUCOHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c14-13(15,16)6-5-12(19-17)11-8-18-7-9-3-1-2-4-10(9)11/h1-4,7-8,12,19H,5-6,17H2.
What are the key properties of (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine?
(4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine has a molecular weight of 269.27 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4,4-trifluoro-1-isoquinolin-4-ylbutyl)hydrazine is sourced from PubChem (CID 105248975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).