4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

C12H16F4N4O — CID 103476941

IUPAC4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H16F4N4O/c13-10(14)12(15,16)6-21-5-8-18-9(20-11(17)19-8)7-3-1-2-4-7/h7,10H,1-6H2,(H2,17,18,19,20)
InChIKeyYRBGFKNILQDRMH-UHFFFAOYSA-N
MW308.28 g/mol
LogP2.53
Rot. Bonds6

About 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine

4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (PubChem CID 103476941) has the molecular formula C12H16F4N4O and a molecular weight of 308.28 g/mol. Its IUPAC name is 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
PubChem CID103476941
Molecular FormulaC12H16F4N4O
Molecular Weight308.28 g/mol
Exact Mass308.13
IUPAC Name4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(COCC(F)(F)C(F)F)nc(C2CCCC2)n1
InChIInChI=1S/C12H16F4N4O/c13-10(14)12(15,16)6-21-5-8-18-9(20-11(17)19-8)7-3-1-2-4-7/h7,10H,1-6H2,(H2,17,18,19,20)
InChIKeyYRBGFKNILQDRMH-UHFFFAOYSA-N
XLogP2.53
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

4-Cyclopentyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151163
4-Cyclopentyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151164
4-Cyclohexyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151165
4-Cyclohexyl-6-[2-(2,2-difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151166
4-Propan-2-yl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476935
4-Cyclopropyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine
CID 103476937
4-Cyclopentyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476940
4-Cyclohexyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476942
4-Cycloheptyl-6-(2,2,2-trifluoroethoxymethyl)-1,3,5-triazin-2-amine
CID 103476944
4-Cyclopentyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868622
4-Cyclopentyl-6-(propoxymethyl)-1,3,5-triazin-2-amine
CID 63868624
4-Cyclohexyl-6-(methoxymethyl)-1,3,5-triazin-2-amine
CID 63868628

Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine (CID 103476941) is 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is Nc1nc(COCC(F)(F)C(F)F)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
The InChIKey is YRBGFKNILQDRMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F4N4O/c13-10(14)12(15,16)6-21-5-8-18-9(20-11(17)19-8)7-3-1-2-4-7/h7,10H,1-6H2,(H2,17,18,19,20).
What are the key properties of 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine?
4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine has a molecular weight of 308.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-(2,2,3,3-tetrafluoropropoxymethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 103476941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).