4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

C16H16ClF6N5O — CID 129304807

IUPAC4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H16ClF6N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyAHSHELPWWSUNFT-UHFFFAOYSA-N
MW443.78 g/mol
LogP4.99
Rot. Bonds7

About 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine

4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (PubChem CID 129304807) has the molecular formula C16H16ClF6N5O and a molecular weight of 443.78 g/mol. Its IUPAC name is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
PubChem CID129304807
Molecular FormulaC16H16ClF6N5O
Molecular Weight443.78 g/mol
Exact Mass443.09
IUPAC Name4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C16H16ClF6N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27)
InChIKeyAHSHELPWWSUNFT-UHFFFAOYSA-N
XLogP4.99
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.78
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

[4-(4-Chloro-phenylamino)-6-diethylamino-[1,3,5]triazin-2-yloxy]-acetonitrile
CID 647226
N,N-diethyl-6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 1381792
(4-Chloro-phenyl)-[4-morpholin-4-yl-6-(2,2,2-trifluoro-1-trifluoromethyl-ethoxy)-[1,3,5]triazin-2-yl]-amine
CID 2237865
6-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-N-methyl-N'-phenyl-1,3,5-triazine-2,4-diamine
CID 3942679
N-(3-chlorophenyl)-4,6-dimorpholino-1,3,5-triazin-2-amine hydrochloride
CID 16810777
N-Methyl-N'-phenyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
CID 129285899
CID 129304813
CID 129304813
CID 129304815
CID 129304815
2-({4-[(4-Chlorophenyl)amino]-6-ethoxy-1,3,5-triazin-2-YL}amino)ethan-1-OL
CID 5124090
N-allyl-N'-(4-chlorophenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 5124088
2-({4-[(3-Chlorophenyl)amino]-6-(pyrrolidin-1-yl)-1,3,5-triazin-2-yl}amino)ethan-1-ol
CID 23648020
({4-[(4-Chlorophenyl)amino]-6-(dimethylamino)-1,3,5-triazin-2-yl}oxy)acetonitrile
CID 662168

Frequently Asked Questions

What is the IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine (CID 129304807) is 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Nc2cccc(Cl)c2)nc(OC(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is AHSHELPWWSUNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClF6N5O/c1-3-28(4-2)13-25-12(24-10-7-5-6-9(17)8-10)26-14(27-13)29-11(15(18,19)20)16(21,22)23/h5-8,11H,3-4H2,1-2H3,(H,24,25,26,27).
What are the key properties of 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine?
4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 443.78 g/mol, XLogP of 4.99, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(3-chlorophenyl)-2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 129304807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).