5- (Pentafluorophenyl) dipyrromethane

CAT: 0024-sc-396886Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-396886Size:250 mg

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CAS Number

167482-91-9

Chemical Information

5-(Pentafluorophenyl)dipyrromethane

CAS Number	167482-91-9
PubChem CID	11174403
IUPAC Name	2-[(2,3,4,5,6-pentafluorophenyl)-(1H-pyrrol-2-yl)methyl]-1H-pyrrole
Molecular Formula	C15H9F5N2
Molecular Weight	312.24
XLogP	3.4
Topological Polar Surface Area	31.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	22
Formal Charge	0
Complexity	353

SMILES

C1=CNC(=C1)C(C2=CC=CN2)C3=C(C(=C(C(=C3F)F)F)F)F

InChI

InChI=1S/C15H9F5N2/c16-11-10(12(17)14(19)15(20)13(11)18)9(7-3-1-5-21-7)8-4-2-6-22-8/h1-6,9,21-22H

InChIKey

XCGQROJURKZJOU-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 167482-91-9

CID: 11174403

Formula: C15H9F5N2

MW: 312.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	312.24
XLogP3	3.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	312.06858911
Monoisotopic Mass	312.06858911
Topological Polar Surface Area	31.6 Å²
Heavy Atom Count	22
Formal Charge	0
Complexity	353
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
sc-262302	5- (4-Pyridyl) dipyrromethane
sc-262298	5- (4-Bromophenyl) dipyrromethane
sc-396885A	5- (4-methoxyphenyl) dipyrromethane
sc-396929	5- (4-aminophenyl) dipyrromethane
sc-262302A	5- (4-Pyridyl) dipyrromethane
sc-396928A	5- (4-cyanophenyl) dipyrromethane
sc-262294A	5- (4-Acetamidophenyl) dipyrromethane
sc-396928	5- (4-cyanophenyl) dipyrromethane
sc-396885	5- (4-methoxyphenyl) dipyrromethane
sc-262298A	5- (4-Bromophenyl) dipyrromethane

Catalog	Name
163902	Dipyrromethane
GTR19268662-01	Dipyrromethane-cofactor-CoA
XYA55360	Pentafluorophenyl ethanesulphonate
286563-01	Pentafluorophenyl Isocyanate
288446-01	Pentafluorophenyl Trifluoromethanesulfonate
PC5692-01	Pentafluorophenyl isothiocyanate
PC4318-01	Pentafluorophenyl methacrylate
PC908067-01	Pentafluorophenyl diphenylphosphinate
PC5808	Pentafluorophenyl isonicotinate
PC10572	Pentafluorophenyl methanesulphonate