2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

C14H17F4N5O — CID 167134869

IUPAC2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C=C/CNc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C14H17F4N5O/c1-3-4-5-6-7-8-20-12-21-11(19-2)22-13(23-12)24-9-14(17,18)10(15)16/h3-7,10H,1,8-9H2,2H3,(H2,19,20,21,22,23)/b5-4-,7-6-
InChIKeyFQFVVURYRXYUOL-RZSVFLSASA-N
MW347.32 g/mol
LogP2.90
Rot. Bonds10

About 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine

2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 167134869) has the molecular formula C14H17F4N5O and a molecular weight of 347.32 g/mol. Its IUPAC name is 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
PubChem CID167134869
Molecular FormulaC14H17F4N5O
Molecular Weight347.32 g/mol
Exact Mass347.14
IUPAC Name2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine
SMILESC=C/C=C\C=C/CNc1nc(NC)nc(OCC(F)(F)C(F)F)n1
InChIInChI=1S/C14H17F4N5O/c1-3-4-5-6-7-8-20-12-21-11(19-2)22-13(23-12)24-9-14(17,18)10(15)16/h3-7,10H,1,8-9H2,2H3,(H2,19,20,21,22,23)/b5-4-,7-6-
InChIKeyFQFVVURYRXYUOL-RZSVFLSASA-N
XLogP2.90
TPSA71.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.32
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2,4-Bis(allylamino)-6-butoxy-s-triazine
CID 459157
1,3,5-Triazine, 2-allylamino-4,6-bis(2,2,2-trifluoro-1-trifluoromethylethoxy)-
CID 549774
1,3,5-Triazine, 2-allylamino-4-ethoxy-6-dimethylamino-
CID 602118
6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-2-N,2-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 17065366
2-N,2-N-diethyl-6-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 17065367
6-(3,3-difluoropropoxy)-2-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 145342937
4,6-diethoxy-N-prop-2-enyl-1,3,5-triazin-2-amine
CID 23310878
6-(3,3-difluoropropoxy)-2-N-[(2E,4Z)-hexa-2,4-dien-2-yl]-4-N-methyl-1,3,5-triazine-2,4-diamine;fluoromethane
CID 145342936

Frequently Asked Questions

What is the IUPAC name of 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine (CID 167134869) is 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is C=C/C=C\C=C/CNc1nc(NC)nc(OCC(F)(F)C(F)F)n1.
What is the InChIKey of 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is FQFVVURYRXYUOL-RZSVFLSASA-N. The full InChI is InChI=1S/C14H17F4N5O/c1-3-4-5-6-7-8-20-12-21-11(19-2)22-13(23-12)24-9-14(17,18)10(15)16/h3-7,10H,1,8-9H2,2H3,(H2,19,20,21,22,23)/b5-4-,7-6-.
What are the key properties of 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine?
2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 347.32 g/mol, XLogP of 2.90, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(2Z,4Z)-hepta-2,4,6-trienyl]-4-N-methyl-6-(2,2,3,3-tetrafluoropropoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 167134869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).