4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

C8H10F3N5 — CID 141350804

IUPAC4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C8H10F3N5/c9-8(10,11)5-2-1-3-16(5)7-14-4-13-6(12)15-7/h4-5H,1-3H2,(H2,12,13,14,15)
InChIKeyDIAXCRVGQMEGDB-UHFFFAOYSA-N
MW233.20 g/mol
LogP0.98
Rot. Bonds1

About 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine

4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (PubChem CID 141350804) has the molecular formula C8H10F3N5 and a molecular weight of 233.20 g/mol. Its IUPAC name is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
PubChem CID141350804
Molecular FormulaC8H10F3N5
Molecular Weight233.20 g/mol
Exact Mass233.09
IUPAC Name4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine
SMILESNc1ncnc(N2CCCC2C(F)(F)F)n1
InChIInChI=1S/C8H10F3N5/c9-8(10,11)5-2-1-3-16(5)7-14-4-13-6(12)15-7/h4-5H,1-3H2,(H2,12,13,14,15)
InChIKeyDIAXCRVGQMEGDB-UHFFFAOYSA-N
XLogP0.98
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.20
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine (CID 141350804) is 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is Nc1ncnc(N2CCCC2C(F)(F)F)n1.
What is the InChIKey of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
The InChIKey is DIAXCRVGQMEGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N5/c9-8(10,11)5-2-1-3-16(5)7-14-4-13-6(12)15-7/h4-5H,1-3H2,(H2,12,13,14,15).
What are the key properties of 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine?
4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine has a molecular weight of 233.20 g/mol, XLogP of 0.98, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(trifluoromethyl)pyrrolidin-1-yl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 141350804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).