4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

C4H2ClF3N4 — CID 22244964

IUPAC4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C4H2ClF3N4/c5-2-10-1(4(6,7)8)11-3(9)12-2/h(H2,9,10,11,12)
InChIKeyITXUBIMPBJDSJU-UHFFFAOYSA-N
MW198.53 g/mol
LogP1.13
Rot. Bonds

About 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine

4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 22244964) has the molecular formula C4H2ClF3N4 and a molecular weight of 198.53 g/mol. Its IUPAC name is 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
PubChem CID22244964
Molecular FormulaC4H2ClF3N4
Molecular Weight198.53 g/mol
Exact Mass197.99
IUPAC Name4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C(F)(F)F)n1
InChIInChI=1S/C4H2ClF3N4/c5-2-10-1(4(6,7)8)11-3(9)12-2/h(H2,9,10,11,12)
InChIKeyITXUBIMPBJDSJU-UHFFFAOYSA-N
XLogP1.13
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.53
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,6-Tris(trifluoromethyl)-1,3,5-triazine
CID 9715
6-(Trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12806
4-Chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
CID 79006197
2,4-Difluoro-6-(trifluoromethyl)-S-triazine
CID 9713
2-Fluoro-4,6-bis(trifluoromethyl)-1,3,5-triazine
CID 12859
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493
4-(Trichloromethyl)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 11011446
2,4-Dichloro-6-(trifluoromethyl)-1,3,5-triazine
CID 129978920
2-trifluoromethyl-4-(N-dichloroamino)-6-amino-s-triazine
CID 129791092
2-Trifluoromethyl-4-dibromoamino-6-bromoamino-s-triazine
CID 129791411
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
4-(Trifluoromethoxy)-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 19006209

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine (CID 22244964) is 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C(F)(F)F)n1.
What is the InChIKey of 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is ITXUBIMPBJDSJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H2ClF3N4/c5-2-10-1(4(6,7)8)11-3(9)12-2/h(H2,9,10,11,12).
What are the key properties of 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 198.53 g/mol, XLogP of 1.13, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 22244964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).