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4-Fluoropentylindole

CAT: 0024-sc-490171Size: 2.5 mgDry Ice: NoHazardous: No
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CAT#:0024-sc-490171Size:2.5 mg
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CAS Number
1451385-65-1

Chemical Information

4-Fluoropentylindole
CAS Number1451385-65-1
PubChem CID131668184
IUPAC Name1-(4-fluoropentyl)indole
Molecular FormulaC13H16FN
Molecular Weight205.27
XLogP4.1
Topological Polar Surface Area4.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Heavy Atom Count15
Formal Charge0
Complexity195
SMILES
CC(CCCN1C=CC2=CC=CC=C21)F
InChI
InChI=1S/C13H16FN/c1-11(14)5-4-9-15-10-8-12-6-2-3-7-13(12)15/h2-3,6-8,10-11H,4-5,9H2,1H3
InChIKey
KBLOSQQBEUFJES-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-Fluoropentylindole
CAS: 1451385-65-1
CID: 131668184
Formula: C13H16FN
MW: 205.27
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight205.27
XLogP34.1
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count1
Rotatable Bond Count4
Exact Mass205.126677677
Monoisotopic Mass205.126677677
Topological Polar Surface Area4.9 Ų
Heavy Atom Count15
Formal Charge0
Complexity195
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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