2- ((4-fluorophenyl) ethynyl) benzeneaMine

CAT: 0127-PC1002140-01Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0127-PC1002140-01Size:100 mg

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CAS Number

1173153-20-2

Purity

97%

Smiles

Fc1ccc(cc1)C#Cc1ccccc1N

Chemical Information

2-((4-Fluorophenyl)ethynyl)aniline

CAS Number	1173153-20-2
PubChem CID	21686225
IUPAC Name	2-[2-(4-fluorophenyl)ethynyl]aniline
Molecular Formula	C14H10FN
Molecular Weight	211.23
XLogP	3.4
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Heavy Atom Count	16
Formal Charge	0
Complexity	280

SMILES

C1=CC=C(C(=C1)C#CC2=CC=C(C=C2)F)N

InChI

InChI=1S/C14H10FN/c15-13-9-6-11(7-10-13)5-8-12-3-1-2-4-14(12)16/h1-4,6-7,9-10H,16H2

InChIKey

TUKBDCKEFZMYLE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1173153-20-2

CID: 21686225

Formula: C14H10FN

MW: 211.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	211.23
XLogP3	3.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	2
Exact Mass	211.079727485
Monoisotopic Mass	211.079727485
Topological Polar Surface Area	26 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	280
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
PC1011086-01	1-[2- (4-Fluorophenyl) ethynyl]cyclohexanol
PC1021756	1-[2- (4-Fluorophenyl) ethynyl]cyclopentanol
PC3963-01	4-[ (4-Fluorophenyl) ethynyl]phenol
OR345077-01	4- (Pyrrolidinosulfonylmethyl) benzeneamine
PC1016620-01	α-[2- (2-Fluorophenyl) ethynyl]cyclopropanemethanol
PC1012265	1-ethyl-4-[ (4-fluorophenyl) ethynyl]-Benzene
PC1010957-01	1- ((4-fluorophenyl) ethynyl) cyclobutanol
PC1009617-01	((4-fluorophenyl) ethynyl) (methyl) sulfane
PC1016749-01	1-[2- (2-Fluorophenyl) ethynyl]cyclobutanol
OR1093945-01	3-[2- (4-Methylphenyl) ethynyl]benzenamine

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