CAS 42835-89-2|6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline|6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline 99%|6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline|6-Fluoro-2-methyl-1,2,3,4-tetrahydroquino...

General Information

Structure

Molecular Formula

C₁₀H₁₂FN

Molecular Mass

165.2073832

Exact Mass

165.09537761

Charge

InChI

InChI=1S/C10H12FN/c1-7-2-3-8-6-9(11)4-5-10(8)12-7/h4-7,12H,2-3H2,1H3

InChIKey

BDCCXYVTXRUGAN-UHFFFAOYSA-N

Canonic Smiles

CC1CCc2c(N1)ccc(c2)F

Isomeric Smiles

N1C(CCc2c1ccc(c2)F)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.3752515

LogD (pH = 7.4)

2.4881103

Log P

2.489758

Molar Refractivity

48.7976

Polarizability

17.678467

Polar Surface Area

12.03

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Synonyms

6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline 99%6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinolineQuinoline, 6-fluoro-1,2,3,4-tetrahydro-2-methyl-6-Fluoro-2-methyl-1,2,3,4-tetrahydroquinoline6-Fluoro-1,2,3,4-tetrahydro-2-methylquinoline1,2,3,4-Tetrahydro-6-fluoro-2-methylquinoline

IUPAC name

6-fluoro-2-methyl-1,2,3,4-tetrahydroquinoline

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

PubChem SID