(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine

C13H14F3N3 — CID 63386017

IUPAC(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
SMILESCC(C)(C)c1cc2c(F)c(F)cc(F)c2nc1NN
InChIInChI=1S/C13H14F3N3/c1-13(2,3)7-4-6-10(16)8(14)5-9(15)11(6)18-12(7)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyWGAYTASKFCCKSF-UHFFFAOYSA-N
MW269.27 g/mol
LogP3.24
Rot. Bonds1

About (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine

(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine (PubChem CID 63386017) has the molecular formula C13H14F3N3 and a molecular weight of 269.27 g/mol. Its IUPAC name is (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
PubChem CID63386017
Molecular FormulaC13H14F3N3
Molecular Weight269.27 g/mol
Exact Mass269.11
IUPAC Name(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine
SMILESCC(C)(C)c1cc2c(F)c(F)cc(F)c2nc1NN
InChIInChI=1S/C13H14F3N3/c1-13(2,3)7-4-6-10(16)8(14)5-9(15)11(6)18-12(7)19-17/h4-5H,17H2,1-3H3,(H,18,19)
InChIKeyWGAYTASKFCCKSF-UHFFFAOYSA-N
XLogP3.24
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-tert-butyl-5,8-difluoro-6-methyl-N-propylquinolin-2-amine
CID 103587511
(6,8-dibromo-3-tert-butylquinolin-2-yl)hydrazine
CID 63386142
(3-tert-butyl-5,8-dichloro-6-methylquinolin-2-yl)hydrazine
CID 113445996
3-tert-butyl-5,8-difluoro-6-methylquinolin-2-amine
CID 103587512
3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
CID 63386267
N-ethyl-5,6,8-trifluoro-3-propylquinolin-2-amine
CID 55223170
(3-tert-butyl-5,7-dichloroquinolin-2-yl)hydrazine
CID 63386184
5,6,8-trifluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524202
(3-tert-butyl-7,8,9,10-tetrahydrobenzo[h]quinolin-2-yl)hydrazine
CID 63386139
3-tert-butyl-2-chloro-5,8-difluoroquinoline
CID 63382310
3-tert-butyl-8-chloro-6-fluoro-N-methylquinolin-2-amine
CID 63382241
5-[(3,5-difluoro-6-hydrazinyl-2-pyridinyl)amino]-4,4-dimethylpentan-1-ol
CID 114150408

Frequently Asked Questions

What is the IUPAC name of (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine?
The IUPAC name of (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine (CID 63386017) is (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine.
What is the SMILES notation for (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine?
The canonical SMILES for (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine is CC(C)(C)c1cc2c(F)c(F)cc(F)c2nc1NN.
What is the InChIKey of (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine?
The InChIKey is WGAYTASKFCCKSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3/c1-13(2,3)7-4-6-10(16)8(14)5-9(15)11(6)18-12(7)19-17/h4-5H,17H2,1-3H3,(H,18,19).
What are the key properties of (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine?
(3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine has a molecular weight of 269.27 g/mol, XLogP of 3.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-tert-butyl-5,6,8-trifluoroquinolin-2-yl)hydrazine is sourced from PubChem (CID 63386017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).