(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine

C12H13F2N3 — CID 63233124

IUPAC(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCC(C)c1cc2ccc(F)c(F)c2nc1NN
InChIInChI=1S/C12H13F2N3/c1-6(2)8-5-7-3-4-9(13)10(14)11(7)16-12(8)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyPPKKOYPJKFVSDE-UHFFFAOYSA-N
MW237.25 g/mol
LogP2.92
Rot. Bonds2

About (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine

(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine (PubChem CID 63233124) has the molecular formula C12H13F2N3 and a molecular weight of 237.25 g/mol. Its IUPAC name is (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine.

Molecular Properties

Compound Name(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine
PubChem CID63233124
Molecular FormulaC12H13F2N3
Molecular Weight237.25 g/mol
Exact Mass237.11
IUPAC Name(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine
SMILESCC(C)c1cc2ccc(F)c(F)c2nc1NN
InChIInChI=1S/C12H13F2N3/c1-6(2)8-5-7-3-4-9(13)10(14)11(7)16-12(8)17-15/h3-6H,15H2,1-2H3,(H,16,17)
InChIKeyPPKKOYPJKFVSDE-UHFFFAOYSA-N
XLogP2.92
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 52.92
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

(8-bromo-6-fluoro-3-propan-2-ylquinolin-2-yl)hydrazine
CID 63233356
N-ethyl-6,7,8-trifluoro-3-propan-2-ylquinolin-2-amine
CID 63231864
5,7,8-trifluoro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63232395
7,8-difluoro-3-methylquinolin-2-amine
CID 63232819
(8-chloro-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
CID 107629269
(8-bromo-5-methyl-3-propan-2-ylquinolin-2-yl)hydrazine
CID 82759562
7,8-difluoro-3-propan-2-ylquinoline
CID 168882990
3-tert-butyl-7,8-difluoro-N-methylquinolin-2-amine
CID 63386267
8-fluoro-3-propan-2-yl-N-propylquinolin-2-amine
CID 63524722
(6,8-dibromo-5-methoxy-3-propan-2-ylquinolin-2-yl)hydrazine
CID 103416912
(7,8-difluoro-2-methyl-3-propan-2-ylquinolin-4-yl)hydrazine
CID 62915501
7,8-dichloro-N-methyl-3-propan-2-ylquinolin-2-amine
CID 63524898

Frequently Asked Questions

What is the IUPAC name of (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine?
The IUPAC name of (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine (CID 63233124) is (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine.
What is the SMILES notation for (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine?
The canonical SMILES for (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine is CC(C)c1cc2ccc(F)c(F)c2nc1NN.
What is the InChIKey of (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine?
The InChIKey is PPKKOYPJKFVSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2N3/c1-6(2)8-5-7-3-4-9(13)10(14)11(7)16-12(8)17-15/h3-6H,15H2,1-2H3,(H,16,17).
What are the key properties of (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine?
(7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine has a molecular weight of 237.25 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7,8-difluoro-3-propan-2-ylquinolin-2-yl)hydrazine is sourced from PubChem (CID 63233124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).