(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine

C11H10F3N3 — CID 62809377

IUPAC(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine
SMILESCc1nc2c(F)cc(F)c(F)c2c(NN)c1C
InChIInChI=1S/C11H10F3N3/c1-4-5(2)16-11-7(13)3-6(12)9(14)8(11)10(4)17-15/h3H,15H2,1-2H3,(H,16,17)
InChIKeyNMSRUICAZHZCMN-UHFFFAOYSA-N
MW241.22 g/mol
LogP2.55
Rot. Bonds1

About (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine

(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine (PubChem CID 62809377) has the molecular formula C11H10F3N3 and a molecular weight of 241.22 g/mol. Its IUPAC name is (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine.

Molecular Properties

Compound Name(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine
PubChem CID62809377
Molecular FormulaC11H10F3N3
Molecular Weight241.22 g/mol
Exact Mass241.08
IUPAC Name(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine
SMILESCc1nc2c(F)cc(F)c(F)c2c(NN)c1C
InChIInChI=1S/C11H10F3N3/c1-4-5(2)16-11-7(13)3-6(12)9(14)8(11)10(4)17-15/h3H,15H2,1-2H3,(H,16,17)
InChIKeyNMSRUICAZHZCMN-UHFFFAOYSA-N
XLogP2.55
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.22
LogP ≤ 52.55
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

(5,6,8-trifluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 62915682
(6-bromo-5,8-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 107616905
(8-fluoro-2,3,5-trimethylquinolin-4-yl)hydrazine
CID 62252075
5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62915678
(5,7-difluoro-2,3-dimethylquinolin-4-yl)hydrazine
CID 62250577
5,8-difluoro-2,3,6-trimethyl-N-propylquinolin-4-amine
CID 103587346
5,7,8-trifluoro-2,3-dimethyl-N-propylquinolin-4-amine
CID 63482944
4-chloro-5,6,8-trifluoro-2-methyl-3-propan-2-ylquinoline
CID 63409285
(7,8-difluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 62915501
(5-bromo-3-ethyl-8-fluoro-2-methylquinolin-4-yl)hydrazine
CID 62250940
(5,7,8-trifluoro-2-propan-2-ylquinolin-4-yl)hydrazine
CID 62812079
5,6,8-trifluoro-N-methyl-2-(trifluoromethyl)quinolin-4-amine
CID 62810601

Frequently Asked Questions

What is the IUPAC name of (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine?
The IUPAC name of (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine (CID 62809377) is (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine.
What is the SMILES notation for (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine?
The canonical SMILES for (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine is Cc1nc2c(F)cc(F)c(F)c2c(NN)c1C.
What is the InChIKey of (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine?
The InChIKey is NMSRUICAZHZCMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10F3N3/c1-4-5(2)16-11-7(13)3-6(12)9(14)8(11)10(4)17-15/h3H,15H2,1-2H3,(H,16,17).
What are the key properties of (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine?
(5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine has a molecular weight of 241.22 g/mol, XLogP of 2.55, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6,8-trifluoro-2,3-dimethylquinolin-4-yl)hydrazine is sourced from PubChem (CID 62809377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).