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5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde - CAS 881674-60-8

Catalog:	BB038766
Product Name:	5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde
CAS:	881674-60-8
Synonyms:	5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxaldehyde; 5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde

Technical Data

Patents

Computed Properties

IUPAC Name:	5-[2-(trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde
Description:	5-[2-(Trifluoromethyl)phenyl]-1H-pyrrole-3-carbaldehyde (CAS# 881674-60-8 ) is a useful research chemical.
Molecular Weight:	239.19
Molecular Formula:	C12H8F3NO
Canonical SMILES:	C1=CC=C(C(=C1)C2=CC(=CN2)C=O)C(F)(F)F
InChI:	InChI=1S/C12H8F3NO/c13-12(14,15)10-4-2-1-3-9(10)11-5-8(7-17)6-16-11/h1-7,16H
InChI Key:	ROVODVNBNIDQJF-UHFFFAOYSA-N
LogP:	3.51300

Publication Number	Title	Priority Date
AU-2006285641-A1	1-heterocyclylsulfonyl, 2-aminomethyl, 5- (hetero-) aryl substituted 1-h-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-A1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-B2	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2013200142-C1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830
AU-2015268744-A1	1-Heterocyclylsulfonyl, 3-aminomethyl, 5-(hetero-)aryl substituted 1-H-pyrrole derivatives as acid secretion inhibitors	20050830

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Related Functional Groups

Carbonyl Compounds

[91125-43-8]
Sulfophenyl nonanoate sodium salt
[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[35153-16-3]
(Z)-10-Tetradecenyl Acetate
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone
[1431966-64-1]
1-{2-[(3-Methoxypropyl)amino]-4-methyl-1,3-thiazol-5-yl}ethanone hydrochloride
[253429-30-0]
1-Bromo-2-(2,2-diethoxyethoxy)-4-fluorobenzene

Complexity:	279
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	239.05579836
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	239.05579836
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.9
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7