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Compound FL0045

CAT: 0013-GTR19269687-03Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19269687-03Size:10 mg
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Description
Compound FL0045, with CAS No. 1628184-67-7, is a fragment molecule that serves as an important scaffold for molecular linking, expansion, and modification. Compound FL0045 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.
CAS Number
1628184-67-7
Purity
99.56% (May vary between batches)
Smiles
NC (=O) C1 (CC1) C (F) (F) F
Molecular Formula
C5H6F3NO
Molecular Weight
153.1
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

1-(Trifluoromethyl)cyclopropane-1-carboxamide
CAS Number1628184-67-7
PubChem CID57475858
IUPAC Name1-(trifluoromethyl)cyclopropane-1-carboxamide
Molecular FormulaC5H6F3NO
Molecular Weight153.10
XLogP0.5
Topological Polar Surface Area43.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Heavy Atom Count10
Formal Charge0
Complexity170
SMILES
C1CC1(C(=O)N)C(F)(F)F
InChI
InChI=1S/C5H6F3NO/c6-5(7,8)4(1-2-4)3(9)10/h1-2H2,(H2,9,10)
InChIKey
IRUVVVCBXQYUCN-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1-(Trifluoromethyl)cyclopropane-1-carboxamide
CAS: 1628184-67-7
CID: 57475858
Formula: C5H6F3NO
MW: 153.10
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight153.10
XLogP30.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count1
Exact Mass153.04014830
Monoisotopic Mass153.04014830
Topological Polar Surface Area43.1 Ų
Heavy Atom Count10
Formal Charge0
Complexity170
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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