6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine

C8H8F7N5O — CID 14512671

IUPAC6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5O/c9-6(7(10,11)12,8(13,14)15)21-2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20)
InChIKeyINVCZQINFSVPCC-UHFFFAOYSA-N
MW323.17 g/mol
LogP1.39
Rot. Bonds4

About 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine

6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 14512671) has the molecular formula C8H8F7N5O and a molecular weight of 323.17 g/mol. Its IUPAC name is 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
PubChem CID14512671
Molecular FormulaC8H8F7N5O
Molecular Weight323.17 g/mol
Exact Mass323.06
IUPAC Name6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(CCOC(F)(C(F)(F)F)C(F)(F)F)n1
InChIInChI=1S/C8H8F7N5O/c9-6(7(10,11)12,8(13,14)15)21-2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20)
InChIKeyINVCZQINFSVPCC-UHFFFAOYSA-N
XLogP1.39
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.17
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[3,3,4,4-Tetrafluoro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)butyl]-1,3,5-triazine-2,4-diamine
CID 14512673
2-Chloro-4-[2,2-difluoro-2-(2-fluoroethoxy)ethyl]-6-methyl-1,3,5-triazine
CID 157776703
Azane;2,4-diethyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine
CID 175232802
4-Methyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151151
4-[2-(2,2-Difluoroethoxy)ethyl]-6-methyl-1,3,5-triazin-2-amine
CID 103151152
4-[2-(2,2,2-Trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151153
4-[2-(2,2-Difluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151154
4-Ethyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151155
4-[2-(2,2-Difluoroethoxy)ethyl]-6-ethyl-1,3,5-triazin-2-amine
CID 103151156
4-[2-(2,2-Difluoroethoxy)ethyl]-6-propyl-1,3,5-triazin-2-amine
CID 103151157
4-Propan-2-yl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151158
4-Cyclopropyl-6-[2-(2,2,2-trifluoroethoxy)ethyl]-1,3,5-triazin-2-amine
CID 103151159

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine (CID 14512671) is 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(CCOC(F)(C(F)(F)F)C(F)(F)F)n1.
What is the InChIKey of 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is INVCZQINFSVPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F7N5O/c9-6(7(10,11)12,8(13,14)15)21-2-1-3-18-4(16)20-5(17)19-3/h1-2H2,(H4,16,17,18,19,20).
What are the key properties of 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine?
6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 323.17 g/mol, XLogP of 1.39, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,1,1,2,3,3,3-heptafluoropropan-2-yloxy)ethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14512671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).