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

C4H4F2N4 — CID 130737438

IUPAC4-(difluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)F)n1
InChIInChI=1S/C4H4F2N4/c5-2(6)3-8-1-9-4(7)10-3/h1-2H,(H2,7,8,9,10)
InChIKeyHHVPJZRVATWRFA-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.39
Rot. Bonds1

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

4-(difluoromethyl)-1,3,5-triazin-2-amine (PubChem CID 130737438) has the molecular formula C4H4F2N4 and a molecular weight of 146.10 g/mol. Its IUPAC name is 4-(difluoromethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-1,3,5-triazin-2-amine
PubChem CID130737438
Molecular FormulaC4H4F2N4
Molecular Weight146.10 g/mol
Exact Mass146.04
IUPAC Name4-(difluoromethyl)-1,3,5-triazin-2-amine
SMILESNc1ncnc(C(F)F)n1
InChIInChI=1S/C4H4F2N4/c5-2(6)3-8-1-9-4(7)10-3/h1-2H,(H2,7,8,9,10)
InChIKeyHHVPJZRVATWRFA-UHFFFAOYSA-N
XLogP0.39
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.39
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-Methyl-1,3,5-triazin-2-amine
CID 33971
s-Triazine, 2-methyl-4-methylamino-6-(trifluoromethyl)-
CID 3041947
4-(Trifluoromethyl)-1,3,5-triazin-2-amine
CID 19920908
(Trifluoromethyl)-sym-triazine
CID 18931040
4-Methyl-6-trifl uoromethyl-1,3,5-triazine
CID 20133964
2-Methyl-1,3,5-triazine
CID 19208
2-Difluoromethyl-4-amino-6-methylamino-s-triazine
CID 129787032
(1,3,5-Triazin-2-YL)methanamine
CID 22639528
1,3,5-Triazin-2-ylmethanediamine
CID 57028845
6-(Difluoromethyl)-1,3,5-triazine-2,4-diamine
CID 44725305
2-Chloro-4-(trifluoromethyl)-1,3,5-triazine
CID 20134000

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-(difluoromethyl)-1,3,5-triazin-2-amine (CID 130737438) is 4-(difluoromethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-1,3,5-triazin-2-amine is Nc1ncnc(C(F)F)n1.
What is the InChIKey of 4-(difluoromethyl)-1,3,5-triazin-2-amine?
The InChIKey is HHVPJZRVATWRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F2N4/c5-2(6)3-8-1-9-4(7)10-3/h1-2H,(H2,7,8,9,10).
What are the key properties of 4-(difluoromethyl)-1,3,5-triazin-2-amine?
4-(difluoromethyl)-1,3,5-triazin-2-amine has a molecular weight of 146.10 g/mol, XLogP of 0.39, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 130737438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).