2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine

C10H4F6N2 — CID 130252584

IUPAC2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine
SMILESCNc1c(F)c(F)nc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10H4F6N2/c1-17-8-2-3(11)4(12)5(13)6(14)9(2)18-10(16)7(8)15/h1H3,(H,17,18)
InChIKeyLWJXFVFXUXEQLN-UHFFFAOYSA-N
MW266.14 g/mol
LogP3.11
Rot. Bonds1

About 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine

2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine (PubChem CID 130252584) has the molecular formula C10H4F6N2 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine.

Molecular Properties

Compound Name2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine
PubChem CID130252584
Molecular FormulaC10H4F6N2
Molecular Weight266.14 g/mol
Exact Mass266.03
IUPAC Name2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine
SMILESCNc1c(F)c(F)nc2c(F)c(F)c(F)c(F)c12
InChIInChI=1S/C10H4F6N2/c1-17-8-2-3(11)4(12)5(13)6(14)9(2)18-10(16)7(8)15/h1H3,(H,17,18)
InChIKeyLWJXFVFXUXEQLN-UHFFFAOYSA-N
XLogP3.11
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,3,4,6,7,8-hexafluoro-1,5-naphthyridine
CID 146262522
2,3,5,6-tetrafluoro-N-(2,3,4,5,6-pentafluorophenyl)pyridin-4-amine
CID 13303728
tris(1,3,4,5,6,7,8-heptafluoronaphthalen-2-yl)borane;tris(2,3,4,5,6,8-hexafluoroquinolin-7-yl)borane;tris(2,3,4,5,6-pentafluorophenyl)borane;tris[2,3,4,5-tetrafluoro-6-(2,3,4,5,6-pentafluorophenyl)phenyl]borane
CID 158331273
3,6,7,10,13,16,17,20,23,26,27,30-dodecafluoro-5,8,15,18,25,28-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
CID 166870449
5,6,8-trifluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62915678
5,6,7,8,15,16,17,18,25,26,27,28-dodecafluoro-3,10,13,20,23,30-hexazaheptacyclo[20.8.0.02,11.04,9.012,21.014,19.024,29]triaconta-1(22),2(11),3,5,7,9,12(21),13,15,17,19,23,25,27,29-pentadecaene
CID 87361080
3,4,5,6-tetrafluoro-2-N-methylbenzene-1,2-diamine
CID 146329780
2,3,5,6-tetrafluoro-N-[(2S)-3-methylbutan-2-yl]pyridin-4-amine
CID 155764999
4,5,6,7-tetrafluoro-3-(2,3,4,5,6-pentafluorophenyl)-2H-indazole
CID 44622822
N-methyl-5-[2,3,5,6-tetrafluoro-4-(methylamino)phenyl]-1,2,4-oxadiazol-3-amine
CID 101107633
2,3,4,5-tetrafluoro-6-methylpyridine
CID 15388342
5,8-difluoro-N,7-dimethyl-2,3-dihydro-1H-cyclopenta[b]quinolin-9-amine
CID 103587355

Frequently Asked Questions

What is the IUPAC name of 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine?
The IUPAC name of 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine (CID 130252584) is 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine.
What is the SMILES notation for 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine?
The canonical SMILES for 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine is CNc1c(F)c(F)nc2c(F)c(F)c(F)c(F)c12.
What is the InChIKey of 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine?
The InChIKey is LWJXFVFXUXEQLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2/c1-17-8-2-3(11)4(12)5(13)6(14)9(2)18-10(16)7(8)15/h1H3,(H,17,18).
What are the key properties of 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine?
2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine has a molecular weight of 266.14 g/mol, XLogP of 3.11, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6,7,8-hexafluoro-N-methylquinolin-4-amine is sourced from PubChem (CID 130252584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).