(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

C10H6Cl2F3N3O — CID 43560027

IUPAC(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl2F3N3O/c11-4-1-2-5(6(12)3-4)7(16)8-17-9(19-18-8)10(13,14)15/h1-3,7H,16H2
InChIKeyHJKOIQYMAYPMLY-UHFFFAOYSA-N
MW312.08 g/mol
LogP3.44
Rot. Bonds2

About (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine

(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (PubChem CID 43560027) has the molecular formula C10H6Cl2F3N3O and a molecular weight of 312.08 g/mol. Its IUPAC name is (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.

Molecular Properties

Compound Name(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
PubChem CID43560027
Molecular FormulaC10H6Cl2F3N3O
Molecular Weight312.08 g/mol
Exact Mass310.98
IUPAC Name(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
SMILESNC(c1noc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C10H6Cl2F3N3O/c11-4-1-2-5(6(12)3-4)7(16)8-17-9(19-18-8)10(13,14)15/h1-3,7H,16H2
InChIKeyHJKOIQYMAYPMLY-UHFFFAOYSA-N
XLogP3.44
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.08
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-iodophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 114283080
(5-bromo-2-methoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43559979
(2,4-dichlorophenyl)-[4-(trifluoromethyl)phenyl]methanamine
CID 61273169
(1,3-dimethylpyrazol-4-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 83091773
(4-ethoxyphenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 43560016
(2,4-dichlorophenyl)-(2,5-difluorophenyl)methanamine
CID 43197872
(3-bromothiophen-2-yl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 113298197
[4-bromo-2-(trifluoromethyl)phenyl]-(2,4-dichlorophenyl)methanamine
CID 107332709
(2-chloro-4-fluorophenyl)-(5-propyl-1,2,4-oxadiazol-3-yl)methanamine
CID 114064742
(2,4-dichlorophenyl)-(3-fluoro-4-pyridinyl)methanamine
CID 105038151
(5-tert-butyl-1,2,4-oxadiazol-3-yl)-(2-chloro-6-fluorophenyl)methanamine
CID 43559922
2,4-dichloro-1-[chloro-[2-(trifluoromethyl)phenyl]methyl]benzene
CID 63443981

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The IUPAC name of (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine (CID 43560027) is (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine.
What is the SMILES notation for (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The canonical SMILES for (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is NC(c1noc(C(F)(F)F)n1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
The InChIKey is HJKOIQYMAYPMLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6Cl2F3N3O/c11-4-1-2-5(6(12)3-4)7(16)8-17-9(19-18-8)10(13,14)15/h1-3,7H,16H2.
What are the key properties of (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine?
(2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine has a molecular weight of 312.08 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]methanamine is sourced from PubChem (CID 43560027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).