4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine

C5H6F2N4O2 — CID 90277433

IUPAC4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCF)nc(OCF)n1
InChIInChI=1S/C5H6F2N4O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2,(H2,8,9,10,11)
InChIKeyKYADBMMQLNITLO-UHFFFAOYSA-N
MW192.12 g/mol
LogP0.07
Rot. Bonds4

About 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine

4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine (PubChem CID 90277433) has the molecular formula C5H6F2N4O2 and a molecular weight of 192.12 g/mol. Its IUPAC name is 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine
PubChem CID90277433
Molecular FormulaC5H6F2N4O2
Molecular Weight192.12 g/mol
Exact Mass192.05
IUPAC Name4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine
SMILESNc1nc(OCF)nc(OCF)n1
InChIInChI=1S/C5H6F2N4O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2,(H2,8,9,10,11)
InChIKeyKYADBMMQLNITLO-UHFFFAOYSA-N
XLogP0.07
TPSA83.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.12
LogP ≤ 50.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-Methoxyguanamine
CID 17803
2-Amino-4,6-dimethoxy-1,3,5-triazine
CID 27840
2-Fluoro-4,6-dimethoxy-1,3,5-triazine
CID 150249762
2,4-Difluoro-6-methoxy-1,3,5-triazine
CID 15010385
4-Fluoro-6-methoxy-1,3,5-triazin-2-amine
CID 55281091
6-[Chloro(difluoro)methoxy]-1,3,5-triazine-2,4-diamine
CID 10867578
2-Amino-4-fluoro-6-trifluoromethoxy-1,3,5-triazin
CID 15010388
2-Amino-4-methoxy-6-trifluoromethoxy-1,3,5-triazine
CID 15010393
4-[Chloro(difluoro)methoxy]-6-methoxy-1,3,5-triazin-2-amine
CID 15010394
4,6-Bis(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19006225
4-methoxy-N-methyl-6-(trifluoromethoxy)-1,3,5-triazin-2-amine
CID 19777639
4-(Difluoromethoxy)-6-methoxy-1,3,5-triazin-2-amine
CID 20267316

Frequently Asked Questions

What is the IUPAC name of 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine (CID 90277433) is 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine is Nc1nc(OCF)nc(OCF)n1.
What is the InChIKey of 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine?
The InChIKey is KYADBMMQLNITLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F2N4O2/c6-1-12-4-9-3(8)10-5(11-4)13-2-7/h1-2H2,(H2,8,9,10,11).
What are the key properties of 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine?
4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine has a molecular weight of 192.12 g/mol, XLogP of 0.07, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-bis(fluoromethoxy)-1,3,5-triazin-2-amine is sourced from PubChem (CID 90277433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).