CAS 93246-53-8|3-fluoro-4-(morpholin-4-yl)aniline|3-fluoro-4-(morpholin-4-yl)aniline|3-Fluoro-4-(4-morpholinyl)aniline|3-Fluoro-4-(4-morpholinyl) Benzenamine|3-Fluoro-4-(4-morpholinyl)aniline|3-Fluo...

General Information

Structure

Molecular Formula

C₁₀H₁₃FN₂O

Molecular Mass

196.2214232

Exact Mass

196.10119127

Charge

InChI

InChI=1S/C10H13FN2O/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13/h1-2,7H,3-6,12H2

InChIKey

FQGIBHQUVCGEAC-UHFFFAOYSA-N

Canonic Smiles

Nc1ccc(c(c1)F)N1CCOCC1

Isomeric Smiles

c1(N2CCOCC2)c(cc(cc1)N)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

1.09651

LogD (pH = 7.4)

1.1754587

Log P

1.1765652

Molar Refractivity

54.4779

Polarizability

19.627449

Polar Surface Area

38.49

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

3-fluoro-4-(morpholin-4-yl)aniline

IUPAC name

3-fluoro-4-(morpholin-4-yl)aniline

Synonyms

3-Fluoro-4-(4-morpholinyl)aniline3-Fluoro-4-(4-morpholinyl) Benzenamine3-Fluoro-4-(morpholin-4-yl)phenylamine3-Fluoro-4-(4-morpholinyl)aniline3-Fluoro-4-morpholinoanilineN-(4-Amino-2-fluorophenyl)morpholine.3-fluoro-4-(morpholin-4-yl)aniline3-Fluoro-4-morpholin-4-yl-phenylamine

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem SID

PubChem CID

Registration numbers

Properties