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

C4H3ClF2N4 — CID 79006197

IUPAC4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C(F)F)n1
InChIInChI=1S/C4H3ClF2N4/c5-3-9-2(1(6)7)10-4(8)11-3/h1H,(H2,8,9,10,11)
InChIKeyVHUJEXSWERMPAM-UHFFFAOYSA-N
MW180.55 g/mol
LogP1.04
Rot. Bonds1

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

4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 79006197) has the molecular formula C4H3ClF2N4 and a molecular weight of 180.55 g/mol. Its IUPAC name is 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
PubChem CID79006197
Molecular FormulaC4H3ClF2N4
Molecular Weight180.55 g/mol
Exact Mass180.00
IUPAC Name4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(C(F)F)n1
InChIInChI=1S/C4H3ClF2N4/c5-3-9-2(1(6)7)10-4(8)11-3/h1H,(H2,8,9,10,11)
InChIKeyVHUJEXSWERMPAM-UHFFFAOYSA-N
XLogP1.04
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.55
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

s-Triazine, 2-amino-4-methyl-6-(trifluoromethyl)-
CID 168866
4-Chloro-6-methyl-1,3,5-triazin-2-amine
CID 30591
6-(Trifluoromethyl)-1,3,5-triazine-2,4-diamine
CID 12806
4-Chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
CID 22244964
4,6-Bis(trifluoromethyl)-1,3,5-triazin-2-amine
CID 34493
2,4-Dichloro-6-(trifluoromethyl)-1,3,5-triazine
CID 129978920
2-Difluoromethyl-4-amino-6-methylamino-s-triazine
CID 129787032
2-trifluoromethyl-4-(N-dichloroamino)-6-amino-s-triazine
CID 129791092
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
2-Amino-4-chloro-6-(1-fluoroethyl)-1,3,5-triazine
CID 12040787
6-(2,2,2-Trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 14512633
6-(2,2,3,3,3-Pentafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 14512634

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine (CID 79006197) is 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(C(F)F)n1.
What is the InChIKey of 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is VHUJEXSWERMPAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H3ClF2N4/c5-3-9-2(1(6)7)10-4(8)11-3/h1H,(H2,8,9,10,11).
What are the key properties of 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 180.55 g/mol, XLogP of 1.04, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(difluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79006197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).