4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine

C14H15ClF2N4 — CID 70147239

IUPAC4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
SMILESCCC(F)c1nc(N)nc(C(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H15ClF2N4/c1-3-10(16)13-19-12(20-14(18)21-13)7(2)8-4-5-11(17)9(15)6-8/h4-7,10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyUANTUXGGQVKBJB-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.82
Rot. Bonds4

About 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine

4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine (PubChem CID 70147239) has the molecular formula C14H15ClF2N4 and a molecular weight of 312.75 g/mol. Its IUPAC name is 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
PubChem CID70147239
Molecular FormulaC14H15ClF2N4
Molecular Weight312.75 g/mol
Exact Mass312.10
IUPAC Name4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine
SMILESCCC(F)c1nc(N)nc(C(C)c2ccc(F)c(Cl)c2)n1
InChIInChI=1S/C14H15ClF2N4/c1-3-10(16)13-19-12(20-14(18)21-13)7(2)8-4-5-11(17)9(15)6-8/h4-7,10H,3H2,1-2H3,(H2,18,19,20,21)
InChIKeyUANTUXGGQVKBJB-UHFFFAOYSA-N
XLogP3.82
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine (CID 70147239) is 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine is CCC(F)c1nc(N)nc(C(C)c2ccc(F)c(Cl)c2)n1.
What is the InChIKey of 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
The InChIKey is UANTUXGGQVKBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N4/c1-3-10(16)13-19-12(20-14(18)21-13)7(2)8-4-5-11(17)9(15)6-8/h4-7,10H,3H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine?
4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine has a molecular weight of 312.75 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3-chloro-4-fluorophenyl)ethyl]-6-(1-fluoropropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 70147239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).