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M-Fluoro-DCBA

CAT: 0013-GTR19223118-02Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19223118-02Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
M-Fluoro-DCBA is a bioactive small molecule utilized in biochemical research. It serves as a tool compound in in vitro studies for investigating molecular interactions and has been referenced in research exploring fluorinated aromatic compounds in biological systems.
CAS Number
1542-44-5
Smiles
FC1=CC=CC (=C1) CN (CCCl) CCCl
Molecular Formula
C11H14Cl2FN
Molecular Weight
250.14
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-
CAS Number1542-44-5
PubChem CID15238
IUPAC Name2-chloro-N-(2-chloroethyl)-N-[(3-fluorophenyl)methyl]ethanamine
Molecular FormulaC11H14Cl2FN
Molecular Weight250.14
XLogP3.4
Topological Polar Surface Area3.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count15
Formal Charge0
Complexity163
SMILES
C1=CC(=CC(=C1)F)CN(CCCl)CCCl
InChI
InChI=1S/C11H14Cl2FN/c12-4-6-15(7-5-13)9-10-2-1-3-11(14)8-10/h1-3,8H,4-7,9H2
InChIKey
KBAYQRXDWMAVEF-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Benzenemethanamine, N,N-bis(2-chloroethyl)-3-fluoro-
CAS: 1542-44-5
CID: 15238
Formula: C11H14Cl2FN
MW: 250.14
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight250.14
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass249.0487330
Monoisotopic Mass249.0487330
Topological Polar Surface Area3.2 Ų
Heavy Atom Count15
Formal Charge0
Complexity163
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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