(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine

C12H12F3N3 — CID 62812079

IUPAC(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C12H12F3N3/c1-5(2)8-4-9(18-16)10-6(13)3-7(14)11(15)12(10)17-8/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyLTUNFPNHVAJJEZ-UHFFFAOYSA-N
MW255.24 g/mol
LogP3.06
Rot. Bonds2

About (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine

(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine (PubChem CID 62812079) has the molecular formula C12H12F3N3 and a molecular weight of 255.24 g/mol. Its IUPAC name is (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
PubChem CID62812079
Molecular FormulaC12H12F3N3
Molecular Weight255.24 g/mol
Exact Mass255.10
IUPAC Name(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
SMILESCC(C)c1cc(NN)c2c(F)cc(F)c(F)c2n1
InChIInChI=1S/C12H12F3N3/c1-5(2)8-4-9(18-16)10-6(13)3-7(14)11(15)12(10)17-8/h3-5H,16H2,1-2H3,(H,17,18)
InChIKeyLTUNFPNHVAJJEZ-UHFFFAOYSA-N
XLogP3.06
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 53.06
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

(5,6,7-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62812771
(5-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250056
(8-bromo-5-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 107629164
(5,7,8-trifluoro-2-phenylquinolin-4-yl)hydrazine
CID 62812421
(6-fluoro-8-methyl-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62251317
(5,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 55050910
(8-chloro-6-fluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250595
(5-chloro-6,8-dimethoxy-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62250401
[2-(difluoromethyl)-7,8-difluoroquinolin-4-yl]hydrazine
CID 62890722
N,2-diethyl-5,7,8-trifluoroquinolin-4-amine
CID 62813629
N-ethyl-5-fluoro-8-methyl-2-propan-2-ylquinolin-4-amine
CID 63479612
4-hydrazinyl-N,N-dimethyl-2-propan-2-ylquinolin-6-amine
CID 62252626

Frequently Asked Questions

What is the IUPAC name of (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The IUPAC name of (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine (CID 62812079) is (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The canonical SMILES for (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine is CC(C)c1cc(NN)c2c(F)cc(F)c(F)c2n1.
What is the InChIKey of (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
The InChIKey is LTUNFPNHVAJJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N3/c1-5(2)8-4-9(18-16)10-6(13)3-7(14)11(15)12(10)17-8/h3-5H,16H2,1-2H3,(H,17,18).
What are the key properties of (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine?
(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine has a molecular weight of 255.24 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62812079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).