[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine

C8H6Cl2F3N — CID 123938398

IUPAC[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H,3,14H2
InChIKeyWHJDVWGCSIJXPG-UHFFFAOYSA-N
MW244.04 g/mol
LogP3.47
Rot. Bonds1

About [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine

[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine (PubChem CID 123938398) has the molecular formula C8H6Cl2F3N and a molecular weight of 244.04 g/mol. Its IUPAC name is [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound Name[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
PubChem CID123938398
Molecular FormulaC8H6Cl2F3N
Molecular Weight244.04 g/mol
Exact Mass242.98
IUPAC Name[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine
SMILESNCc1c(C(F)(F)F)ccc(Cl)c1Cl
InChIInChI=1S/C8H6Cl2F3N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H,3,14H2
InChIKeyWHJDVWGCSIJXPG-UHFFFAOYSA-N
XLogP3.47
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.04
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1,2-dichloro-3-ethyl-4-(trifluoromethyl)benzene
CID 122548871
2,3-dichloro-6-(trifluoromethyl)aniline
CID 21257594
[2-amino-3-chloro-6-(trifluoromethyl)phenyl]methanol
CID 119006450
1,2-dichloro-3-methyl-4-(trifluoromethyl)benzene
CID 14745915
[2-chloro-4-fluoro-6-(trifluoromethyl)phenyl]methanamine
CID 171016039
[2-chloro-4-methoxy-6-(trifluoromethyl)phenyl]methanamine
CID 171021002
2-(bromomethyl)-3-chloro-6-(trifluoromethyl)aniline
CID 118998697
N-[(2,3,6-trichlorophenyl)methyl]-2-(trifluoromethyl)aniline
CID 43758457
3-(aminomethyl)-2,4-bis(trifluoromethyl)benzonitrile
CID 119020343
[2-bromo-6-(trifluoromethyl)phenyl]methanamine;hydrochloride
CID 119018838
4-(aminomethyl)-3-chloro-5-(trifluoromethyl)benzonitrile
CID 171015306
[6-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]methanamine
CID 84696406

Frequently Asked Questions

What is the IUPAC name of [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine (CID 123938398) is [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine is NCc1c(C(F)(F)F)ccc(Cl)c1Cl.
What is the InChIKey of [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine?
The InChIKey is WHJDVWGCSIJXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2F3N/c9-6-2-1-5(8(11,12)13)4(3-14)7(6)10/h1-2H,3,14H2.
What are the key properties of [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine?
[2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine has a molecular weight of 244.04 g/mol, XLogP of 3.47, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3-dichloro-6-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 123938398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).