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Compound Fr14535

CAT: 0931-Fr14535-02Size: 200 mgDry Ice: NoHazardous: No
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CAT#:0931-Fr14535-02Size:200 mg
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CAS Number
118078-66-3
Bioactivity
Compound Fr14535, with CAS No. 118078-66-3, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound Fr14535 provides a structural basis and research tool for the design and screening of novel drug candidates, and is commonly used in drug discovery, drug synthesis, and related research.
Smiles
Fc1cc(ccn1)C(F)(F)F
Molecular Formula
C6H3F4N
Molecular Weight
165.09
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

2-Fluoro-4-(trifluoromethyl)pyridine
CAS Number118078-66-3
PubChem CID11159514
IUPAC Name2-fluoro-4-(trifluoromethyl)pyridine
Molecular FormulaC6H3F4N
Molecular Weight165.09
XLogP2.2
Topological Polar Surface Area12.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Heavy Atom Count11
Formal Charge0
Complexity133
SMILES
C1=CN=C(C=C1C(F)(F)F)F
InChI
InChI=1S/C6H3F4N/c7-5-3-4(1-2-11-5)6(8,9)10/h1-3H
InChIKey
DFNQBXZKPUBEIX-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-Fluoro-4-(trifluoromethyl)pyridine
CAS: 118078-66-3
CID: 11159514
Formula: C6H3F4N
MW: 165.09
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight165.09
XLogP32.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count0
Exact Mass165.02016175
Monoisotopic Mass165.02016175
Topological Polar Surface Area12.9 Ų
Heavy Atom Count11
Formal Charge0
Complexity133
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

Related Products

CatalogName
Fr14515-01Compound Fr14515
Fr14435-01Compound Fr14435
Fr14539-01Compound Fr14539
Fr14505-01Compound Fr14505
Fr13535-01Compound Fr13535
Fr14135-01Compound Fr14135
Fr14530-01Compound Fr14530
Fr14355-01Compound Fr14355
Fr14532-01Compound Fr14532
Fr14235-01Compound Fr14235

Alternative Products

CatalogName
ALX-550-516-M025Compound A
C8444-50Compound C108
C5824-10GPR120 Compound A
A8197-5.1Compound 56
B7337-5Compound 401
XXC35825-01Compound 3a
HY-14176-01Compound E
HY-U00358Compound 2
1898-200Compound 34
2573-5Compound 112254

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